smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1 ZINC000216631169 241201573 /nfs/dbraw/zinc/20/15/73/241201573.db2.gz RCHKWENKXKXHEJ-UHFFFAOYSA-N 0 0 335.429 2.574 40 70 EFIBRN COc1cccc(NC(=O)NCCSC2CCOCC2)c1OC ZINC000217708933 241270153 /nfs/dbraw/zinc/27/01/53/241270153.db2.gz FFBREVCJPMZTRS-UHFFFAOYSA-N 0 0 340.445 2.738 40 70 EFIBRN Cn1nc(-c2ccccc2)cc1C(=O)NCCSC1CCOCC1 ZINC000217705109 241271485 /nfs/dbraw/zinc/27/14/85/241271485.db2.gz BRHCJIGLRUYRTP-UHFFFAOYSA-N 0 0 345.468 2.729 40 70 EFIBRN O=S(=O)(NCCSC1CCOCC1)c1ccc(Cl)s1 ZINC000217710119 241271492 /nfs/dbraw/zinc/27/14/92/241271492.db2.gz NTRQEUGIKVEOSE-UHFFFAOYSA-N 0 0 341.907 2.592 40 70 EFIBRN Cc1ccc(Cn2cc([C@@H]3N(C)c4ccccc4C(=O)N3C)nn2)cc1 ZINC000216757042 241208643 /nfs/dbraw/zinc/20/86/43/241208643.db2.gz KDHAUBIHCNSYEJ-LJQANCHMSA-N 0 0 347.422 2.855 40 70 EFIBRN CCOC(=O)c1ccc(-c2cc(C(=O)OC)ccc2C(=O)OC)o1 ZINC000216772164 241210503 /nfs/dbraw/zinc/21/05/03/241210503.db2.gz VZUWVXOFJLFIKC-UHFFFAOYSA-N 0 0 332.308 2.697 40 70 EFIBRN COc1ccc(OCC(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 ZINC000217839786 241276194 /nfs/dbraw/zinc/27/61/94/241276194.db2.gz WZFOVVAZODMPFK-CQSZACIVSA-N 0 0 345.395 2.666 40 70 EFIBRN O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217819351 241277286 /nfs/dbraw/zinc/27/72/86/241277286.db2.gz JBQOEXPOWCLIGW-LSDHHAIUSA-N 0 0 342.826 2.690 40 70 EFIBRN COc1ccc(CCCNC(=O)COc2ccc(OC)cc2)cc1 ZINC000217839598 241277780 /nfs/dbraw/zinc/27/77/80/241277780.db2.gz PYZBPPJQJXNPMP-UHFFFAOYSA-N 0 0 329.396 2.832 40 70 EFIBRN Cn1cccc1[C@H](O)CCNC(=O)c1ccccc1Br ZINC000217936674 241285065 /nfs/dbraw/zinc/28/50/65/241285065.db2.gz JJUZFHZBGZMGNT-CQSZACIVSA-N 0 0 337.217 2.641 40 70 EFIBRN Cn1cccc1[C@H](O)CCNC(=O)c1cc(Br)cs1 ZINC000217939043 241286705 /nfs/dbraw/zinc/28/67/05/241286705.db2.gz RAPYTVJPPUGTDO-LLVKDONJSA-N 0 0 343.246 2.703 40 70 EFIBRN Cn1c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc2ccccc21 ZINC000217984767 241287911 /nfs/dbraw/zinc/28/79/11/241287911.db2.gz MEDLIGCWDHFFAS-GOEBONIOSA-N 0 0 347.418 2.600 40 70 EFIBRN CCOc1ccc(CCCNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000218298529 241313605 /nfs/dbraw/zinc/31/36/05/241313605.db2.gz QSVJDPKUIQGOLH-LJQANCHMSA-N 0 0 341.407 2.974 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@H]2C(N)=S)cc1 ZINC000218644994 241337681 /nfs/dbraw/zinc/33/76/81/241337681.db2.gz YUWIKAQHOVVEKM-HRCADAONSA-N 0 0 349.452 2.976 40 70 EFIBRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000161121472 205327953 /nfs/dbraw/zinc/32/79/53/205327953.db2.gz QSDSQLXPGGDMEK-UAGQMJEPSA-N 0 0 332.444 2.709 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@H]2C(N)=S)cc1 ZINC000218054027 301700152 /nfs/dbraw/zinc/70/01/52/301700152.db2.gz NFAJUOPBDPYOSC-JYJNAYRXSA-N 0 0 331.462 2.837 40 70 EFIBRN CCc1nc([C@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)cs1 ZINC000159649793 323222222 /nfs/dbraw/zinc/22/22/22/323222222.db2.gz VSZJYPQFVKBWDF-RYUDHWBXSA-N 0 0 349.460 2.821 40 70 EFIBRN Cc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)[nH]n1 ZINC000159564674 473040058 /nfs/dbraw/zinc/04/00/58/473040058.db2.gz SFCZPNUCFFFGMJ-LBPRGKRZSA-N 0 0 338.415 2.871 40 70 EFIBRN COc1ccc(CNC(=O)Nc2cnn(CC3CCOCC3)c2)cc1 ZINC000218236844 474145315 /nfs/dbraw/zinc/14/53/15/474145315.db2.gz AXZAMRHYXXLPPG-UHFFFAOYSA-N 0 0 344.415 2.640 40 70 EFIBRN CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217845531 535877570 /nfs/dbraw/zinc/87/75/70/535877570.db2.gz KBYRGQFCTAUVHE-KRWDZBQOSA-N 0 0 347.436 2.980 40 70 EFIBRN COc1cccc(-c2nnc(C3CCN(C(=O)C4CC4)CC3)o2)c1 ZINC000216640581 537069622 /nfs/dbraw/zinc/06/96/22/537069622.db2.gz ZEKHMESHGGJKBN-UHFFFAOYSA-N 0 0 327.384 2.861 40 70 EFIBRN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2C(N)=S)cc1 ZINC000218552016 564061756 /nfs/dbraw/zinc/06/17/56/564061756.db2.gz ZVQQLIXOUYOMEN-OWCLPIDISA-N 0 0 331.462 2.837 40 70 EFIBRN COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2OC)c1 ZINC000216679467 241203645 /nfs/dbraw/zinc/20/36/45/241203645.db2.gz ADYFCDLPSGGVFI-QGZVFWFLSA-N 0 0 332.425 2.706 40 70 EFIBRN CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3C)o2)C1 ZINC000216645923 241202095 /nfs/dbraw/zinc/20/20/95/241202095.db2.gz AQUHRZWTMIHGSF-ZDUSSCGKSA-N 0 0 335.429 2.574 40 70 EFIBRN O=C(CSc1ccc(F)cc1)NCCSC1CCOCC1 ZINC000217701493 241269209 /nfs/dbraw/zinc/26/92/09/241269209.db2.gz HCETYHKAGJZQDV-UHFFFAOYSA-N 0 0 329.462 2.946 40 70 EFIBRN Cc1c(Cl)cccc1S(=O)(=O)NCCSC1CCOCC1 ZINC000217710365 241271162 /nfs/dbraw/zinc/27/11/62/241271162.db2.gz BUPHSKKDWHDHER-UHFFFAOYSA-N 0 0 349.905 2.839 40 70 EFIBRN CCOCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217795878 241274850 /nfs/dbraw/zinc/27/48/50/241274850.db2.gz ZRCXYASEZAEJHG-ZDUSSCGKSA-N 0 0 347.390 2.693 40 70 EFIBRN Fc1ccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)cc1 ZINC000216772652 241210776 /nfs/dbraw/zinc/21/07/76/241210776.db2.gz OVVKFLWIXKTYPW-LJQANCHMSA-N 0 0 338.386 2.997 40 70 EFIBRN Cc1nnsc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1 ZINC000217910563 241283598 /nfs/dbraw/zinc/28/35/98/241283598.db2.gz WIMXBBVWFZBNDH-UHFFFAOYSA-N 0 0 345.472 2.654 40 70 EFIBRN O=C(NCC[C@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000217919072 241283759 /nfs/dbraw/zinc/28/37/59/241283759.db2.gz VFMAULXACHPANG-AWEZNQCLSA-N 0 0 331.334 2.613 40 70 EFIBRN COc1ccc(OC[C@H](C)NC(=O)COc2ccccc2OC)cc1 ZINC000217945817 241286183 /nfs/dbraw/zinc/28/61/83/241286183.db2.gz QFNODOGFXVDGPA-AWEZNQCLSA-N 0 0 345.395 2.666 40 70 EFIBRN COc1ccc(CCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000218297948 241312714 /nfs/dbraw/zinc/31/27/14/241312714.db2.gz PJOQMBSSZRCNLO-SFHVURJKSA-N 0 0 327.380 2.584 40 70 EFIBRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000161121245 473209351 /nfs/dbraw/zinc/20/93/51/473209351.db2.gz QSDSQLXPGGDMEK-XIRDDKMYSA-N 0 0 332.444 2.709 40 70 EFIBRN COc1ccc(OCC(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 ZINC000217839727 536839136 /nfs/dbraw/zinc/83/91/36/536839136.db2.gz WZFOVVAZODMPFK-AWEZNQCLSA-N 0 0 345.395 2.666 40 70 EFIBRN COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(OC)cc2)c1 ZINC000216679583 241204454 /nfs/dbraw/zinc/20/44/54/241204454.db2.gz NWQBCIUZPXKGHA-QGZVFWFLSA-N 0 0 332.425 2.706 40 70 EFIBRN O=C(Cc1cccs1)NCc1nn(C2CCCC2)c2c1COCC2 ZINC000217586684 241260800 /nfs/dbraw/zinc/26/08/00/241260800.db2.gz KVIHBEHVZBUULZ-UHFFFAOYSA-N 0 0 345.468 2.991 40 70 EFIBRN O=C(NCCSC1CCOCC1)c1ccc(Br)o1 ZINC000217706672 241270521 /nfs/dbraw/zinc/27/05/21/241270521.db2.gz FJCVTUMMVJDZIR-UHFFFAOYSA-N 0 0 334.235 2.684 40 70 EFIBRN Cc1cc(OC2CN(C(=O)Nc3cccc(Cl)c3)C2)cc(=O)o1 ZINC000217752707 241273123 /nfs/dbraw/zinc/27/31/23/241273123.db2.gz DLQIWKLUCUUDFY-UHFFFAOYSA-N 0 0 334.759 2.897 40 70 EFIBRN COc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1 ZINC000216756346 241209088 /nfs/dbraw/zinc/20/90/88/241209088.db2.gz PDCSVOAGYGPVND-IBGZPJMESA-N 0 0 336.395 2.870 40 70 EFIBRN CN1C(=O)CS[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000216752757 241209252 /nfs/dbraw/zinc/20/92/52/241209252.db2.gz XTDOBSAWZOBJQJ-ZDUSSCGKSA-N 0 0 342.346 2.549 40 70 EFIBRN COc1ccccc1Nc1cc(N2CCN(C)CC2)nc(SC)n1 ZINC000216851882 241214277 /nfs/dbraw/zinc/21/42/77/241214277.db2.gz OABXXWWWVQGERU-UHFFFAOYSA-N 0 0 345.472 2.703 40 70 EFIBRN COc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1OC ZINC000216958790 241227787 /nfs/dbraw/zinc/22/77/87/241227787.db2.gz KDWHYEJULVIASH-UHFFFAOYSA-N 0 0 338.363 2.754 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@H]2C(N)=S)cc1 ZINC000218643581 301700002 /nfs/dbraw/zinc/70/00/02/301700002.db2.gz GPOXIWHCQQUSOG-JYJNAYRXSA-N 0 0 349.452 2.976 40 70 EFIBRN OC[C@H]1CCCN1c1cc(N[C@@H]2CCCc3sccc32)ncn1 ZINC000161071165 473204875 /nfs/dbraw/zinc/20/48/75/473204875.db2.gz YHAOKMGYBKYEQS-TZMCWYRMSA-N 0 0 330.457 2.989 40 70 EFIBRN CN(Cc1cccc(O)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000160504949 473134137 /nfs/dbraw/zinc/13/41/37/473134137.db2.gz QPWINUOZJQEITJ-OAHLLOKOSA-N 0 0 349.228 2.813 40 70 EFIBRN O=C(NCCc1ccccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218235387 474145489 /nfs/dbraw/zinc/14/54/89/474145489.db2.gz YTFJGODKWBBSPZ-UHFFFAOYSA-N 0 0 328.416 2.674 40 70 EFIBRN CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc(F)cc2C)cn1 ZINC000159382253 528568473 /nfs/dbraw/zinc/56/84/73/528568473.db2.gz UINGLQRQXVBBLD-UHFFFAOYSA-N 0 0 333.363 2.881 40 70 EFIBRN CCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216890852 535136482 /nfs/dbraw/zinc/13/64/82/535136482.db2.gz GXXVQEJYWWVNEZ-UHFFFAOYSA-N 0 0 330.409 2.632 40 70 EFIBRN O=C1CS[C@H](c2cn(Cc3ccccc3)nn2)N1Cc1ccco1 ZINC000216684015 241204605 /nfs/dbraw/zinc/20/46/05/241204605.db2.gz IXNOXZBJIVHFCM-QGZVFWFLSA-N 0 0 340.408 2.694 40 70 EFIBRN O=C1CS[C@@H](c2cn(Cc3ccccc3)nn2)N1Cc1ccco1 ZINC000216683972 241204830 /nfs/dbraw/zinc/20/48/30/241204830.db2.gz IXNOXZBJIVHFCM-KRWDZBQOSA-N 0 0 340.408 2.694 40 70 EFIBRN CCc1ccc(S(=O)(=O)NCCSC2CCOCC2)s1 ZINC000217709693 241270531 /nfs/dbraw/zinc/27/05/31/241270531.db2.gz IMTHUXSCHHOLEI-UHFFFAOYSA-N 0 0 335.516 2.501 40 70 EFIBRN Cc1cccc(Cn2cc([C@@H]3N(C)c4ccccc4C(=O)N3C)nn2)c1 ZINC000216756929 241208844 /nfs/dbraw/zinc/20/88/44/241208844.db2.gz HIGXWJWOGCINHA-LJQANCHMSA-N 0 0 347.422 2.855 40 70 EFIBRN Fc1ccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)cc1 ZINC000216780285 241211381 /nfs/dbraw/zinc/21/13/81/241211381.db2.gz JXOULABNVDKPDF-QGZVFWFLSA-N 0 0 328.347 2.590 40 70 EFIBRN CSc1nc(Nc2ccccc2F)cc(N2CCN(C)CC2)n1 ZINC000216851031 241215863 /nfs/dbraw/zinc/21/58/63/241215863.db2.gz ASYWRHRNLXWGGU-UHFFFAOYSA-N 0 0 333.436 2.833 40 70 EFIBRN CCOc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 ZINC000216849772 241216018 /nfs/dbraw/zinc/21/60/18/241216018.db2.gz YOFHNILFPPTSFQ-UHFFFAOYSA-N 0 0 327.432 2.679 40 70 EFIBRN Cc1cc(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)no1 ZINC000217911113 241283688 /nfs/dbraw/zinc/28/36/88/241283688.db2.gz HFJUUVHLXQGXNL-UHFFFAOYSA-N 0 0 328.416 2.790 40 70 EFIBRN Cn1cccc1[C@@H](O)CCNC(=O)c1cc(Br)cs1 ZINC000217939120 241286291 /nfs/dbraw/zinc/28/62/91/241286291.db2.gz RAPYTVJPPUGTDO-NSHDSACASA-N 0 0 343.246 2.703 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@H]2C(N)=S)cc1 ZINC000218643652 241337027 /nfs/dbraw/zinc/33/70/27/241337027.db2.gz GPOXIWHCQQUSOG-HRCADAONSA-N 0 0 349.452 2.976 40 70 EFIBRN Fc1cccc(F)c1-c1csc(CN2CCn3cnnc3C2)n1 ZINC000159436239 225217427 /nfs/dbraw/zinc/21/74/27/225217427.db2.gz OOARPBMQIVHEDK-UHFFFAOYSA-N 0 0 333.367 2.696 40 70 EFIBRN CC(=O)Nc1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1 ZINC000218200415 474144604 /nfs/dbraw/zinc/14/46/04/474144604.db2.gz RTDQAZQMYGTRAH-UHFFFAOYSA-N 0 0 342.399 2.520 40 70 EFIBRN O=C(NCc1ccc(F)cc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218237458 474145119 /nfs/dbraw/zinc/14/51/19/474145119.db2.gz GKJOBAYSMIIRIU-UHFFFAOYSA-N 0 0 332.379 2.771 40 70 EFIBRN C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1nc2ccccc2[nH]1 ZINC000161127238 533757183 /nfs/dbraw/zinc/75/71/83/533757183.db2.gz SUWMPGUOHUZIIB-LBPRGKRZSA-N 0 0 332.367 2.635 40 70 EFIBRN Cc1cc([C@@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1 ZINC000159779331 534044762 /nfs/dbraw/zinc/04/47/62/534044762.db2.gz XDKUFWNPVVEJMK-OAHLLOKOSA-N 0 0 342.443 2.880 40 70 EFIBRN COc1ccccc1-c1nnc(C2CCN(C(=O)C3CC3)CC2)o1 ZINC000216640372 536973936 /nfs/dbraw/zinc/97/39/36/536973936.db2.gz OUCHQSDGCBGCTE-UHFFFAOYSA-N 0 0 327.384 2.861 40 70 EFIBRN COc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)C3CC3)C2)o1 ZINC000216663142 241204173 /nfs/dbraw/zinc/20/41/73/241204173.db2.gz ZDKUGIOKAUMNRF-CYBMUJFWSA-N 0 0 327.384 2.861 40 70 EFIBRN O=C(c1cccc2[nH]ccc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217579579 241260267 /nfs/dbraw/zinc/26/02/67/241260267.db2.gz OYIKBRLDDLXKJF-UONOGXRCSA-N 0 0 333.391 2.589 40 70 EFIBRN Cc1ccccc1Cn1cc([C@H]2N(C)c3ccccc3C(=O)N2C)nn1 ZINC000216756856 241208291 /nfs/dbraw/zinc/20/82/91/241208291.db2.gz VCIOBTPWMGFANV-IBGZPJMESA-N 0 0 347.422 2.855 40 70 EFIBRN Cc1ccccc1Cn1cc([C@@H]2N(C)c3ccccc3C(=O)N2C)nn1 ZINC000216756806 241208865 /nfs/dbraw/zinc/20/88/65/241208865.db2.gz VCIOBTPWMGFANV-LJQANCHMSA-N 0 0 347.422 2.855 40 70 EFIBRN Cc1cc(C(=O)N(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000216891767 241217161 /nfs/dbraw/zinc/21/71/61/241217161.db2.gz AHMHPAUOCBOUKR-UHFFFAOYSA-N 0 0 330.409 2.502 40 70 EFIBRN CC[C@@H](NC(=O)COc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217824156 241276545 /nfs/dbraw/zinc/27/65/45/241276545.db2.gz XIAHHOFCHBOGNK-QGZVFWFLSA-N 0 0 347.436 2.736 40 70 EFIBRN CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217845449 241278625 /nfs/dbraw/zinc/27/86/25/241278625.db2.gz KBYRGQFCTAUVHE-QGZVFWFLSA-N 0 0 347.436 2.980 40 70 EFIBRN O=C(CCc1cccc(Cl)c1)NCC[C@H](O)C1CCOCC1 ZINC000217921384 241284201 /nfs/dbraw/zinc/28/42/01/241284201.db2.gz PXWXLBJJMYTBNT-INIZCTEOSA-N 0 0 325.836 2.566 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@H]2C(N)=S)cc1 ZINC000218054090 241294061 /nfs/dbraw/zinc/29/40/61/241294061.db2.gz NFAJUOPBDPYOSC-HRCADAONSA-N 0 0 331.462 2.837 40 70 EFIBRN COc1ccc(CCCNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000218298009 241313753 /nfs/dbraw/zinc/31/37/53/241313753.db2.gz PJOQMBSSZRCNLO-GOSISDBHSA-N 0 0 327.380 2.584 40 70 EFIBRN Cc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218552241 241331161 /nfs/dbraw/zinc/33/11/61/241331161.db2.gz ZVQQLIXOUYOMEN-ARFHVFGLSA-N 0 0 331.462 2.837 40 70 EFIBRN CN(Cc1ccco1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159430401 206245916 /nfs/dbraw/zinc/24/59/16/206245916.db2.gz NAYSIWNKEOGAOY-GFCCVEGCSA-N 0 0 334.807 2.748 40 70 EFIBRN CN(Cc1ccco1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159430516 206246059 /nfs/dbraw/zinc/24/60/59/206246059.db2.gz NAYSIWNKEOGAOY-LBPRGKRZSA-N 0 0 334.807 2.748 40 70 EFIBRN COc1ccccc1OCC(=O)NCCOc1ccccc1Cl ZINC000159379251 206243017 /nfs/dbraw/zinc/24/30/17/206243017.db2.gz ZURBSFLFIAKSOO-UHFFFAOYSA-N 0 0 335.787 2.923 40 70 EFIBRN COc1cc(OC)cc(N2CC[C@H](Sc3ccncc3)C2=O)c1 ZINC000160038103 206276576 /nfs/dbraw/zinc/27/65/76/206276576.db2.gz VUAHYTUAISFZSQ-INIZCTEOSA-N 0 0 330.409 2.996 40 70 EFIBRN COc1cc(OC)cc(N2CC[C@@H](Sc3ccncc3)C2=O)c1 ZINC000160038178 206276841 /nfs/dbraw/zinc/27/68/41/206276841.db2.gz VUAHYTUAISFZSQ-MRXNPFEDSA-N 0 0 330.409 2.996 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000160958153 206321314 /nfs/dbraw/zinc/32/13/14/206321314.db2.gz NMMBNNVJJPTNDF-UHFFFAOYSA-N 0 0 348.428 2.675 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000161035520 206324773 /nfs/dbraw/zinc/32/47/73/206324773.db2.gz HZKGEHJSKKUVRT-DGCLKSJQSA-N 0 0 348.428 2.846 40 70 EFIBRN NC(=S)[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218642805 295200151 /nfs/dbraw/zinc/20/01/51/295200151.db2.gz JQUJYVJBBAFIAA-ZNMIVQPWSA-N 0 0 335.425 2.668 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2ccccc2)cc1 ZINC000218053892 301699519 /nfs/dbraw/zinc/69/95/19/301699519.db2.gz NFAJUOPBDPYOSC-XHSDSOJGSA-N 0 0 331.462 2.837 40 70 EFIBRN CCS(=O)(=O)c1cccc(CC(=O)N(C)c2ccccc2F)c1 ZINC000159594519 323222207 /nfs/dbraw/zinc/22/22/07/323222207.db2.gz JOIDIVVEZPYOEV-UHFFFAOYSA-N 0 0 335.400 2.825 40 70 EFIBRN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000160547244 473140841 /nfs/dbraw/zinc/14/08/41/473140841.db2.gz IAFDVRAYICQBNR-LLVKDONJSA-N 0 0 338.839 2.525 40 70 EFIBRN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000160547363 473141067 /nfs/dbraw/zinc/14/10/67/473141067.db2.gz IAFDVRAYICQBNR-NSHDSACASA-N 0 0 338.839 2.525 40 70 EFIBRN O=S(=O)(c1cc(F)cc(F)c1)N1CCOc2cccc(F)c21 ZINC000160678089 473160023 /nfs/dbraw/zinc/16/00/23/473160023.db2.gz CRWONIKETUTFPE-UHFFFAOYSA-N 0 0 329.299 2.692 40 70 EFIBRN COc1ccc(-c2nnc(C3CCN(C(=O)C4CC4)CC3)o2)cc1 ZINC000216640778 536527538 /nfs/dbraw/zinc/52/75/38/536527538.db2.gz YUNRTFPKCCANDR-UHFFFAOYSA-N 0 0 327.384 2.861 40 70 EFIBRN COc1ccccc1CCCNC(=O)[C@@H]1COc2ccccc2O1 ZINC000218297836 537029777 /nfs/dbraw/zinc/02/97/77/537029777.db2.gz KBGJZTRFFVTGLM-SFHVURJKSA-N 0 0 327.380 2.584 40 70 EFIBRN CN(CCc1nccs1)S(=O)(=O)c1cccc2c1N=S=N2 ZINC000159648483 529939293 /nfs/dbraw/zinc/93/92/93/529939293.db2.gz FSRBJALFUVMJBB-UHFFFAOYSA-N 0 0 340.455 2.733 40 70 EFIBRN O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217579682 241261001 /nfs/dbraw/zinc/26/10/01/241261001.db2.gz XOIAWGFRUAKWPI-XJKSGUPXSA-N 0 0 333.391 2.589 40 70 EFIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1Cl ZINC000216847710 241214929 /nfs/dbraw/zinc/21/49/29/241214929.db2.gz PBXFFAVGSWIOMK-UHFFFAOYSA-N 0 0 333.823 2.634 40 70 EFIBRN O=S(=O)(c1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217819857 241276438 /nfs/dbraw/zinc/27/64/38/241276438.db2.gz WCKXXDLIQPFWTH-ZDUSSCGKSA-N 0 0 347.440 2.590 40 70 EFIBRN CC[C@H](NC(=O)COc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217824231 241277279 /nfs/dbraw/zinc/27/72/79/241277279.db2.gz XIAHHOFCHBOGNK-KRWDZBQOSA-N 0 0 347.436 2.736 40 70 EFIBRN COc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C)cc1 ZINC000217825848 241277811 /nfs/dbraw/zinc/27/78/11/241277811.db2.gz CGOZROVZVRCZKL-HNNXBMFYSA-N 0 0 329.396 2.966 40 70 EFIBRN Cn1cccc1[C@H](O)CCNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000217938117 241285053 /nfs/dbraw/zinc/28/50/53/241285053.db2.gz ADMWYTAZUKYEAW-CQSZACIVSA-N 0 0 342.317 2.777 40 70 EFIBRN COc1ccc(CCC(=O)Nc2cnn(CC3CCOCC3)c2)cc1 ZINC000218217594 241305375 /nfs/dbraw/zinc/30/53/75/241305375.db2.gz OOULPZKPNXOKLN-UHFFFAOYSA-N 0 0 343.427 2.890 40 70 EFIBRN C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000218282918 241310694 /nfs/dbraw/zinc/31/06/94/241310694.db2.gz FDFWZAZYJZNILT-HUUCEWRRSA-N 0 0 346.452 2.719 40 70 EFIBRN NC(=S)[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218644239 241337325 /nfs/dbraw/zinc/33/73/25/241337325.db2.gz MGMQYEPBINZPCI-KFWWJZLASA-N 0 0 335.425 2.668 40 70 EFIBRN C[C@H](Oc1ccccc1)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000159725626 225266733 /nfs/dbraw/zinc/26/67/33/225266733.db2.gz ZRVQQZFEDVFBTB-NSHDSACASA-N 0 0 340.301 2.817 40 70 EFIBRN c1cc(-c2nnnn2C2CC2)ccc1NC1CCC2(CC1)OCCO2 ZINC000161131838 473210491 /nfs/dbraw/zinc/21/04/91/473210491.db2.gz MBHRQBABODMLEC-UHFFFAOYSA-N 0 0 341.415 2.773 40 70 EFIBRN CN(Cc1cccc(O)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160504816 473133513 /nfs/dbraw/zinc/13/35/13/473133513.db2.gz QPWINUOZJQEITJ-HNNXBMFYSA-N 0 0 349.228 2.813 40 70 EFIBRN O=C(NCc1cccnc1)Nc1ccnn1Cc1ccccc1F ZINC000160554789 473142087 /nfs/dbraw/zinc/14/20/87/473142087.db2.gz IXFKWWRHDZGCRI-UHFFFAOYSA-N 0 0 325.347 2.787 40 70 EFIBRN O=C(NCCOc1ccccc1Cl)[C@@H]1COc2ccccc2O1 ZINC000159443252 534391914 /nfs/dbraw/zinc/39/19/14/534391914.db2.gz ZXLLWGYBSXBLLY-INIZCTEOSA-N 0 0 333.771 2.675 40 70 EFIBRN CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217940482 535883436 /nfs/dbraw/zinc/88/34/36/535883436.db2.gz IXZWAJLMNLKUCF-KRWDZBQOSA-N 0 0 347.436 2.980 40 70 EFIBRN COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccccc2)nn1 ZINC000216762344 537073178 /nfs/dbraw/zinc/07/31/78/537073178.db2.gz PPPZUYGISCPNKZ-LJQANCHMSA-N 0 0 336.395 2.870 40 70 EFIBRN O=C(CCc1c(F)cccc1Cl)N1CCC(n2ccnn2)CC1 ZINC000217690146 241267108 /nfs/dbraw/zinc/26/71/08/241267108.db2.gz LTLLMRHPOHHFEB-UHFFFAOYSA-N 0 0 336.798 2.867 40 70 EFIBRN COc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)nc(C)n1 ZINC000216850021 241215179 /nfs/dbraw/zinc/21/51/79/241215179.db2.gz PBJIDZNHNYPMIO-UHFFFAOYSA-N 0 0 327.432 2.597 40 70 EFIBRN CN1CCN(c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)CC1 ZINC000216847131 241215604 /nfs/dbraw/zinc/21/56/04/241215604.db2.gz OETSWXDGONOCAG-UHFFFAOYSA-N 0 0 337.349 2.991 40 70 EFIBRN COc1ccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1 ZINC000216869795 241217210 /nfs/dbraw/zinc/21/72/10/241217210.db2.gz HRCPUABFPICYID-UHFFFAOYSA-N 0 0 338.363 2.776 40 70 EFIBRN Cc1noc(C)c1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217814884 241276224 /nfs/dbraw/zinc/27/62/24/241276224.db2.gz IUNGXKZQOOCYAI-LBPRGKRZSA-N 0 0 330.388 2.647 40 70 EFIBRN CCOCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217826720 241277680 /nfs/dbraw/zinc/27/76/80/241277680.db2.gz YNKXZMAIDNCOSK-OAHLLOKOSA-N 0 0 343.427 2.863 40 70 EFIBRN Cn1cccc1[C@@H](O)CCNC(=O)c1ccccc1Br ZINC000217936757 241285233 /nfs/dbraw/zinc/28/52/33/241285233.db2.gz JJUZFHZBGZMGNT-AWEZNQCLSA-N 0 0 337.217 2.641 40 70 EFIBRN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(C2CC2)on1 ZINC000218009005 241290551 /nfs/dbraw/zinc/29/05/51/241290551.db2.gz WYDRHIDJYLVSSC-LJQANCHMSA-N 0 0 342.395 2.515 40 70 EFIBRN NC(=S)[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218644310 241336122 /nfs/dbraw/zinc/33/61/22/241336122.db2.gz MGMQYEPBINZPCI-ILXRZTDVSA-N 0 0 335.425 2.668 40 70 EFIBRN NC(=S)[C@@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218644102 303353750 /nfs/dbraw/zinc/35/37/50/303353750.db2.gz MGMQYEPBINZPCI-ZNMIVQPWSA-N 0 0 335.425 2.668 40 70 EFIBRN CNC(=O)CCCN(C)C(=O)c1cc(C)cc(C)c1Br ZINC000161357852 323222524 /nfs/dbraw/zinc/22/25/24/323222524.db2.gz VGBQXWOFIZUCNH-UHFFFAOYSA-N 0 0 341.249 2.664 40 70 EFIBRN COc1ccc(OC)c(CN(C)Cc2nc3c(nccc3C)[nH]2)c1 ZINC000160723502 473165361 /nfs/dbraw/zinc/16/53/61/473165361.db2.gz DBBGUQUVSSASBG-UHFFFAOYSA-N 0 0 326.400 2.916 40 70 EFIBRN CC(=O)NC(C)(C)c1noc(Cc2cccc(OC(F)(F)F)c2)n1 ZINC000160999987 473198259 /nfs/dbraw/zinc/19/82/59/473198259.db2.gz KBNMFKUISMSHFY-UHFFFAOYSA-N 0 0 343.305 2.930 40 70 EFIBRN CS[C@H](C)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000161031969 473200731 /nfs/dbraw/zinc/20/07/31/473200731.db2.gz HWLSKIFBSGXROV-LLVKDONJSA-N 0 0 326.487 2.611 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000161035381 473200937 /nfs/dbraw/zinc/20/09/37/473200937.db2.gz HZKGEHJSKKUVRT-AAEUAGOBSA-N 0 0 348.428 2.846 40 70 EFIBRN Cc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)cc(=O)n1C ZINC000217776017 474143155 /nfs/dbraw/zinc/14/31/55/474143155.db2.gz IIALMRQKJIBHPX-UHFFFAOYSA-N 0 0 344.386 2.516 40 70 EFIBRN Cc1cc(C(=O)Nc2sc3c(c2-c2nc(C)no2)CCOC3)no1 ZINC000217964825 474143942 /nfs/dbraw/zinc/14/39/42/474143942.db2.gz NCMUTMHJVFXLRG-UHFFFAOYSA-N 0 0 346.368 2.728 40 70 EFIBRN COc1ccc(Br)c(C(=O)N2CCc3oncc3C2)c1 ZINC000217692723 536623391 /nfs/dbraw/zinc/62/33/91/536623391.db2.gz NAEFMVIZIIGPJK-UHFFFAOYSA-N 0 0 337.173 2.644 40 70 EFIBRN COc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218103261 536946921 /nfs/dbraw/zinc/94/69/21/536946921.db2.gz HWZUYYXCGMZSQT-ARFHVFGLSA-N 0 0 347.461 2.537 40 70 EFIBRN CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000216648077 241202911 /nfs/dbraw/zinc/20/29/11/241202911.db2.gz QSTVCOZLTSOMIT-CQSZACIVSA-N 0 0 335.429 2.574 40 70 EFIBRN CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000216648117 241200625 /nfs/dbraw/zinc/20/06/25/241200625.db2.gz QSTVCOZLTSOMIT-AWEZNQCLSA-N 0 0 335.429 2.574 40 70 EFIBRN Cc1cccc(Cn2cc([C@H]3N(C)c4ccccc4C(=O)N3C)nn2)c1 ZINC000216756973 241209198 /nfs/dbraw/zinc/20/91/98/241209198.db2.gz HIGXWJWOGCINHA-IBGZPJMESA-N 0 0 347.422 2.855 40 70 EFIBRN CCOC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000216783236 241209753 /nfs/dbraw/zinc/20/97/53/241209753.db2.gz MLPDYNSWPPTMJX-UHFFFAOYSA-N 0 0 336.365 2.640 40 70 EFIBRN Fc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1 ZINC000216780241 241211182 /nfs/dbraw/zinc/21/11/82/241211182.db2.gz JXOULABNVDKPDF-KRWDZBQOSA-N 0 0 328.347 2.590 40 70 EFIBRN CSc1nc(Nc2cccc(F)c2)cc(N2CCN(C)CC2)n1 ZINC000216851071 241214331 /nfs/dbraw/zinc/21/43/31/241214331.db2.gz NAGSEXCSRHRPPO-UHFFFAOYSA-N 0 0 333.436 2.833 40 70 EFIBRN O=C(COc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217808848 241275829 /nfs/dbraw/zinc/27/58/29/241275829.db2.gz WYXLYYRVFIDWHF-CQSZACIVSA-N 0 0 341.411 2.807 40 70 EFIBRN CCS(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217834542 241276404 /nfs/dbraw/zinc/27/64/04/241276404.db2.gz BWZOSANHBJNYJY-AWEZNQCLSA-N 0 0 349.456 2.649 40 70 EFIBRN Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000217938192 241285266 /nfs/dbraw/zinc/28/52/66/241285266.db2.gz ADMWYTAZUKYEAW-AWEZNQCLSA-N 0 0 342.317 2.777 40 70 EFIBRN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(C2CC2)on1 ZINC000218008932 241290648 /nfs/dbraw/zinc/29/06/48/241290648.db2.gz WYDRHIDJYLVSSC-IBGZPJMESA-N 0 0 342.395 2.515 40 70 EFIBRN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2C(N)=S)cc1 ZINC000218552096 241330131 /nfs/dbraw/zinc/33/01/31/241330131.db2.gz ZVQQLIXOUYOMEN-HRCADAONSA-N 0 0 331.462 2.837 40 70 EFIBRN Brc1cccc(Cn2cc([C@H]3OCCS3)nn2)c1 ZINC000216750795 532969052 /nfs/dbraw/zinc/96/90/52/532969052.db2.gz ANRNTJQRPCUYGF-LBPRGKRZSA-N 0 0 326.219 2.851 40 70 EFIBRN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2C(N)=S)cc1 ZINC000218103035 295252427 /nfs/dbraw/zinc/25/24/27/295252427.db2.gz HWZUYYXCGMZSQT-OWCLPIDISA-N 0 0 347.461 2.537 40 70 EFIBRN CC[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1nccs1 ZINC000160334501 323222338 /nfs/dbraw/zinc/22/23/38/323222338.db2.gz WANPPFDHLCFWCE-OAHLLOKOSA-N 0 0 345.472 2.517 40 70 EFIBRN O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)CCO2 ZINC000160998156 323222538 /nfs/dbraw/zinc/22/25/38/323222538.db2.gz OIAXCUDVMOHJAI-UHFFFAOYSA-N 0 0 347.289 2.979 40 70 EFIBRN Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 ZINC000161125548 473209538 /nfs/dbraw/zinc/20/95/38/473209538.db2.gz YXOKEZLYRLTPHX-MYYSRTQBSA-N 0 0 348.424 2.931 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000161035642 473201044 /nfs/dbraw/zinc/20/10/44/473201044.db2.gz HZKGEHJSKKUVRT-WCQYABFASA-N 0 0 348.428 2.846 40 70 EFIBRN O=C(NCCOc1ccccc1Cl)[C@H]1COc2ccccc2O1 ZINC000159443093 534391921 /nfs/dbraw/zinc/39/19/21/534391921.db2.gz ZXLLWGYBSXBLLY-MRXNPFEDSA-N 0 0 333.771 2.675 40 70 EFIBRN O=C(Cc1cccc(F)c1F)Nc1cccn(CC(F)(F)F)c1=O ZINC000159820306 527266358 /nfs/dbraw/zinc/26/63/58/527266358.db2.gz IADICABTDQBKJZ-UHFFFAOYSA-N 0 0 346.255 2.870 40 70 EFIBRN COc1ccccc1-c1nnc([C@H]2CCCN(C(=O)C3CC3)C2)o1 ZINC000216663188 241203861 /nfs/dbraw/zinc/20/38/61/241203861.db2.gz ZDKUGIOKAUMNRF-ZDUSSCGKSA-N 0 0 327.384 2.861 40 70 EFIBRN CCS(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217834451 241276876 /nfs/dbraw/zinc/27/68/76/241276876.db2.gz BWZOSANHBJNYJY-CQSZACIVSA-N 0 0 349.456 2.649 40 70 EFIBRN O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217814188 241276978 /nfs/dbraw/zinc/27/69/78/241276978.db2.gz PHPJDOVOIXEANN-NSHDSACASA-N 0 0 342.399 2.907 40 70 EFIBRN COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C4CC4)C3)o2)cc1 ZINC000216663793 241205210 /nfs/dbraw/zinc/20/52/10/241205210.db2.gz LZUVCNFPRHLVRK-CQSZACIVSA-N 0 0 327.384 2.861 40 70 EFIBRN Cc1cncn(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O ZINC000217477971 241252605 /nfs/dbraw/zinc/25/26/05/241252605.db2.gz HWPBFLGAJKKTEC-UHFFFAOYSA-N 0 0 341.198 2.680 40 70 EFIBRN Cc1cc(-c2cccs2)nn1CCNC(=O)c1c(C)nn(C)c1C ZINC000217875529 241281281 /nfs/dbraw/zinc/28/12/81/241281281.db2.gz VQFKLYDTRYCREJ-UHFFFAOYSA-N 0 0 343.456 2.700 40 70 EFIBRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218232888 241307703 /nfs/dbraw/zinc/30/77/03/241307703.db2.gz PUYISKMZHDNARU-PHIMTYICSA-N 0 0 337.786 2.911 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000160737587 206311052 /nfs/dbraw/zinc/31/10/52/206311052.db2.gz YQHNAKMUHPFRSB-GFCCVEGCSA-N 0 0 334.401 2.637 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000161035254 206325225 /nfs/dbraw/zinc/32/52/25/206325225.db2.gz HZKGEHJSKKUVRT-YPMHNXCESA-N 0 0 348.428 2.846 40 70 EFIBRN CCc1nc([C@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)cs1 ZINC000159650108 323222199 /nfs/dbraw/zinc/22/21/99/323222199.db2.gz VSZJYPQFVKBWDF-NWDGAFQWSA-N 0 0 349.460 2.821 40 70 EFIBRN CNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)co1 ZINC000161358086 473229332 /nfs/dbraw/zinc/22/93/32/473229332.db2.gz BPYDNNIEAVNHOZ-UHFFFAOYSA-N 0 0 339.760 2.558 40 70 EFIBRN Cc1cc([C@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1 ZINC000159779481 473060912 /nfs/dbraw/zinc/06/09/12/473060912.db2.gz XDKUFWNPVVEJMK-HNNXBMFYSA-N 0 0 342.443 2.880 40 70 EFIBRN Fc1cc(F)c2nccc(NC[C@H]3COC4(CCOCC4)O3)c2c1 ZINC000160290335 473105252 /nfs/dbraw/zinc/10/52/52/473105252.db2.gz ABRSPDWLMJZQQF-LBPRGKRZSA-N 0 0 336.338 2.847 40 70 EFIBRN O=C(Cc1ccc(F)cc1F)Nc1cnn(CC2CCOCC2)c1 ZINC000218232941 474145463 /nfs/dbraw/zinc/14/54/63/474145463.db2.gz GWWOAGDCZCYKEB-UHFFFAOYSA-N 0 0 335.354 2.769 40 70 EFIBRN COc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000218167660 536997817 /nfs/dbraw/zinc/99/78/17/536997817.db2.gz JOPSXVWZMDNPPQ-UHFFFAOYSA-N 0 0 331.368 2.651 40 70 EFIBRN CCS(=O)(=O)N1CCC(c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000216632436 241200806 /nfs/dbraw/zinc/20/08/06/241200806.db2.gz RXAZBQJWMZFXLQ-UHFFFAOYSA-N 0 0 335.429 2.574 40 70 EFIBRN O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217569081 241260930 /nfs/dbraw/zinc/26/09/30/241260930.db2.gz SNFHPWOGDIJYFC-XJKSGUPXSA-N 0 0 333.391 2.589 40 70 EFIBRN O=S(=O)(NCCSC1CCOCC1)c1cccc(Cl)c1 ZINC000217709807 241270877 /nfs/dbraw/zinc/27/08/77/241270877.db2.gz BQSUBVOHBHGQAO-UHFFFAOYSA-N 0 0 335.878 2.531 40 70 EFIBRN CN1c2ccccc2C(=O)N(C)[C@@H]1c1cn(Cc2ccccc2)nn1 ZINC000216756692 241208443 /nfs/dbraw/zinc/20/84/43/241208443.db2.gz CIXZJITUQKIYQF-GOSISDBHSA-N 0 0 333.395 2.547 40 70 EFIBRN Fc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1 ZINC000216772507 241209772 /nfs/dbraw/zinc/20/97/72/241209772.db2.gz OEIQMIFHSZHZFP-IBGZPJMESA-N 0 0 338.386 2.997 40 70 EFIBRN Fc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccco2)nn1 ZINC000216780174 241209801 /nfs/dbraw/zinc/20/98/01/241209801.db2.gz HKEGAZDDOSQJTF-QGZVFWFLSA-N 0 0 328.347 2.590 40 70 EFIBRN CN1CCN(c2cc(Nc3cccc(Br)c3)ncn2)CC1 ZINC000216846619 241215470 /nfs/dbraw/zinc/21/54/70/241215470.db2.gz WPBLLEKNXBGTGD-UHFFFAOYSA-N 0 0 348.248 2.735 40 70 EFIBRN O=C(CCc1cccc(Cl)c1)NCC[C@@H](O)C1CCOCC1 ZINC000217921465 241282800 /nfs/dbraw/zinc/28/28/00/241282800.db2.gz PXWXLBJJMYTBNT-MRXNPFEDSA-N 0 0 325.836 2.566 40 70 EFIBRN O=S(=O)(Cc1ccc(F)cc1)NCCOc1ccccc1Cl ZINC000160063957 225329154 /nfs/dbraw/zinc/32/91/54/225329154.db2.gz JCMSUCSUABIJEL-UHFFFAOYSA-N 0 0 343.807 2.978 40 70 EFIBRN CC(C)(CO)NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2 ZINC000217761877 278623572 /nfs/dbraw/zinc/62/35/72/278623572.db2.gz QVSLRBGKSOFFBH-AGCIHXOGSA-N 0 0 330.266 2.607 40 70 EFIBRN CCc1nc([C@@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)cs1 ZINC000159649640 323222223 /nfs/dbraw/zinc/22/22/23/323222223.db2.gz VSZJYPQFVKBWDF-NEPJUHHUSA-N 0 0 349.460 2.821 40 70 EFIBRN OC[C@H]1CCCN1c1cc(N[C@H]2CCCc3sccc32)ncn1 ZINC000161071285 473204788 /nfs/dbraw/zinc/20/47/88/473204788.db2.gz YHAOKMGYBKYEQS-OCCSQVGLSA-N 0 0 330.457 2.989 40 70 EFIBRN CN(C[C@@H]1CCCOC1)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000160448152 473126033 /nfs/dbraw/zinc/12/60/33/473126033.db2.gz GATAXXLUQBUWDV-AWEZNQCLSA-N 0 0 346.406 2.961 40 70 EFIBRN Cc1ccc(F)c(S(=O)(=O)N(C[C@H](C)O)C2CCCCC2)c1 ZINC000160957821 473194350 /nfs/dbraw/zinc/19/43/50/473194350.db2.gz RKISYWRKXRHTIC-ZDUSSCGKSA-N 0 0 329.437 2.838 40 70 EFIBRN COc1cccc(-c2nnc([C@H]3CCCN(C(=O)C4CC4)C3)o2)c1 ZINC000216663511 537070153 /nfs/dbraw/zinc/07/01/53/537070153.db2.gz VSSWSQHYWSWQAM-AWEZNQCLSA-N 0 0 327.384 2.861 40 70 EFIBRN COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccccc2)nn1 ZINC000216762386 537073210 /nfs/dbraw/zinc/07/32/10/537073210.db2.gz PPPZUYGISCPNKZ-IBGZPJMESA-N 0 0 336.395 2.870 40 70 EFIBRN COc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)c1 ZINC000216764230 537125701 /nfs/dbraw/zinc/12/57/01/537125701.db2.gz GLEXSELPEZNMTG-IBGZPJMESA-N 0 0 336.395 2.870 40 70 EFIBRN CCOCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217826783 241276831 /nfs/dbraw/zinc/27/68/31/241276831.db2.gz YNKXZMAIDNCOSK-HNNXBMFYSA-N 0 0 343.427 2.863 40 70 EFIBRN O=C(NCCSC1CCOCC1)C1(c2ccccc2)CCOCC1 ZINC000217702283 241269573 /nfs/dbraw/zinc/26/95/73/241269573.db2.gz ZRKLUWBUYKDXKS-UHFFFAOYSA-N 0 0 349.496 2.763 40 70 EFIBRN COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C)cc1 ZINC000217825774 241276997 /nfs/dbraw/zinc/27/69/97/241276997.db2.gz CGOZROVZVRCZKL-OAHLLOKOSA-N 0 0 329.396 2.966 40 70 EFIBRN Cc1ccc(Cn2cc([C@H]3N(C)c4ccccc4C(=O)N3C)nn2)cc1 ZINC000216757085 241208084 /nfs/dbraw/zinc/20/80/84/241208084.db2.gz KDHAUBIHCNSYEJ-IBGZPJMESA-N 0 0 347.422 2.855 40 70 EFIBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccccc1F ZINC000216747977 241208541 /nfs/dbraw/zinc/20/85/41/241208541.db2.gz AGYQDJUIHPNMJF-UHFFFAOYSA-N 0 0 326.327 2.907 40 70 EFIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000216752710 241208599 /nfs/dbraw/zinc/20/85/99/241208599.db2.gz XTDOBSAWZOBJQJ-CYBMUJFWSA-N 0 0 342.346 2.549 40 70 EFIBRN CN1CCN(c2cc(Nc3ccc(Br)cc3)ncn2)CC1 ZINC000216846665 241214981 /nfs/dbraw/zinc/21/49/81/241214981.db2.gz KQCDLICAXWFCQU-UHFFFAOYSA-N 0 0 348.248 2.735 40 70 EFIBRN CCOc1ccccc1Nc1cc(N2CCN(C)CC2)nc(C)n1 ZINC000216849729 241216072 /nfs/dbraw/zinc/21/60/72/241216072.db2.gz OWFNXCGFGNQHDE-UHFFFAOYSA-N 0 0 327.432 2.679 40 70 EFIBRN O=C(NCC[C@@H](O)C1CCOCC1)c1ccccc1C(F)(F)F ZINC000217919320 241283354 /nfs/dbraw/zinc/28/33/54/241283354.db2.gz FCPUWEDCADQBAE-CQSZACIVSA-N 0 0 331.334 2.613 40 70 EFIBRN Cn1ccc2ccc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc21 ZINC000218022331 241292403 /nfs/dbraw/zinc/29/24/03/241292403.db2.gz PDNYYSPZMWXBQN-WMLDXEAASA-N 0 0 347.418 2.600 40 70 EFIBRN CSc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c1 ZINC000218111684 241297585 /nfs/dbraw/zinc/29/75/85/241297585.db2.gz IIPIBSTVFZYEKZ-BETUJISGSA-N 0 0 331.445 2.840 40 70 EFIBRN COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1Cl ZINC000218190408 241302995 /nfs/dbraw/zinc/30/29/95/241302995.db2.gz LWQBKRUIMBHHEH-TXEJJXNPSA-N 0 0 349.822 2.780 40 70 EFIBRN C[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000218282871 241310800 /nfs/dbraw/zinc/31/08/00/241310800.db2.gz FDFWZAZYJZNILT-CABCVRRESA-N 0 0 346.452 2.719 40 70 EFIBRN CCOc1ccc(CCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000218298478 241313666 /nfs/dbraw/zinc/31/36/66/241313666.db2.gz QSVJDPKUIQGOLH-IBGZPJMESA-N 0 0 341.407 2.974 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@H]2C(N)=S)cc1 ZINC000218644913 292186427 /nfs/dbraw/zinc/18/64/27/292186427.db2.gz YUWIKAQHOVVEKM-JYJNAYRXSA-N 0 0 349.452 2.976 40 70 EFIBRN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)[nH]n1 ZINC000159564556 225239850 /nfs/dbraw/zinc/23/98/50/225239850.db2.gz SFCZPNUCFFFGMJ-GFCCVEGCSA-N 0 0 338.415 2.871 40 70 EFIBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H]1CC(=O)[C@@H]2c2ccccc21 ZINC000217528148 280328939 /nfs/dbraw/zinc/32/89/39/280328939.db2.gz ICRYGXWBPUOMHG-LEUOFYLZSA-N 0 0 335.334 2.785 40 70 EFIBRN Cc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218552161 301774579 /nfs/dbraw/zinc/77/45/79/301774579.db2.gz ZVQQLIXOUYOMEN-BZUAXINKSA-N 0 0 331.462 2.837 40 70 EFIBRN CC[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1nccs1 ZINC000160334395 323222328 /nfs/dbraw/zinc/22/23/28/323222328.db2.gz WANPPFDHLCFWCE-HNNXBMFYSA-N 0 0 345.472 2.517 40 70 EFIBRN O=C(CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)NCC1CC1 ZINC000160131552 323222345 /nfs/dbraw/zinc/22/23/45/323222345.db2.gz BQACEVWFOQCRMD-UHFFFAOYSA-N 0 0 334.725 2.615 40 70 EFIBRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 ZINC000161125174 473209290 /nfs/dbraw/zinc/20/92/90/473209290.db2.gz YXOKEZLYRLTPHX-IZHWHUGBSA-N 0 0 348.424 2.931 40 70 EFIBRN C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)c1ccsc1 ZINC000160524943 473137928 /nfs/dbraw/zinc/13/79/28/473137928.db2.gz XYAMOOGIGOJEOR-OAHLLOKOSA-N 0 0 344.484 2.774 40 70 EFIBRN Cc1cc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c(C)o1 ZINC000217776130 474144056 /nfs/dbraw/zinc/14/40/56/474144056.db2.gz ZPSHXMFAFFAMCV-UHFFFAOYSA-N 0 0 344.411 2.587 40 70 EFIBRN O=C(CCC(=O)c1ccccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218197254 474144381 /nfs/dbraw/zinc/14/43/81/474144381.db2.gz OECNPWWIPMPZBY-UHFFFAOYSA-N 0 0 341.411 2.911 40 70 EFIBRN C[C@@H](Oc1ccccc1)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000159725768 533961203 /nfs/dbraw/zinc/96/12/03/533961203.db2.gz ZRVQQZFEDVFBTB-LLVKDONJSA-N 0 0 340.301 2.817 40 70 EFIBRN Cc1nc2ccc(NC(=O)N3CCC(Cn4ccnn4)CC3)cc2o1 ZINC000160546700 534659510 /nfs/dbraw/zinc/65/95/10/534659510.db2.gz FOSDXXKVHLIEIV-UHFFFAOYSA-N 0 0 340.387 2.672 40 70 EFIBRN O=C(Cc1cccs1)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000160170836 534736067 /nfs/dbraw/zinc/73/60/67/534736067.db2.gz QNXVBCHHVKQIPN-UHFFFAOYSA-N 0 0 326.425 2.516 40 70 EFIBRN COc1ccccc1CCCNC(=O)COc1ccccc1OC ZINC000217945623 537030519 /nfs/dbraw/zinc/03/05/19/537030519.db2.gz SFTVONIEIMCKHD-UHFFFAOYSA-N 0 0 329.396 2.832 40 70 EFIBRN COCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2OC)c1 ZINC000216679516 241203853 /nfs/dbraw/zinc/20/38/53/241203853.db2.gz ADYFCDLPSGGVFI-KRWDZBQOSA-N 0 0 332.425 2.706 40 70 EFIBRN COCCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(OC)c2)c1 ZINC000216679016 241204005 /nfs/dbraw/zinc/20/40/05/241204005.db2.gz VYMKKPHOTWGXBR-QGZVFWFLSA-N 0 0 332.425 2.706 40 70 EFIBRN Cn1cc(CC(=O)NCCSC2CCOCC2)c2ccccc21 ZINC000217705331 241270554 /nfs/dbraw/zinc/27/05/54/241270554.db2.gz AYOWIZOVRJZEOT-UHFFFAOYSA-N 0 0 332.469 2.749 40 70 EFIBRN Cc1noc(C)c1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217814825 241277121 /nfs/dbraw/zinc/27/71/21/241277121.db2.gz IUNGXKZQOOCYAI-GFCCVEGCSA-N 0 0 330.388 2.647 40 70 EFIBRN CCOCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217795812 241274276 /nfs/dbraw/zinc/27/42/76/241274276.db2.gz ZRCXYASEZAEJHG-CYBMUJFWSA-N 0 0 347.390 2.693 40 70 EFIBRN COC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000216783104 241211119 /nfs/dbraw/zinc/21/11/19/241211119.db2.gz RVUBUSCSNKGNJG-UHFFFAOYSA-N 0 0 336.365 2.558 40 70 EFIBRN CSc1nc(Nc2ccc(F)cc2)cc(N2CCN(C)CC2)n1 ZINC000216851110 241214707 /nfs/dbraw/zinc/21/47/07/241214707.db2.gz KCWKQGILQOIPGC-UHFFFAOYSA-N 0 0 333.436 2.833 40 70 EFIBRN O=C(COc1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217808914 241276502 /nfs/dbraw/zinc/27/65/02/241276502.db2.gz WYXLYYRVFIDWHF-AWEZNQCLSA-N 0 0 341.411 2.807 40 70 EFIBRN O=C(c1cc(C2CC2)on1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217814121 241277668 /nfs/dbraw/zinc/27/76/68/241277668.db2.gz PHPJDOVOIXEANN-LLVKDONJSA-N 0 0 342.399 2.907 40 70 EFIBRN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(C)oc1C ZINC000218005691 241290389 /nfs/dbraw/zinc/29/03/89/241290389.db2.gz QAXJPIXQWFFTMX-LJQANCHMSA-N 0 0 329.396 2.859 40 70 EFIBRN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2C(N)=S)cc1 ZINC000218103106 241298026 /nfs/dbraw/zinc/29/80/26/241298026.db2.gz HWZUYYXCGMZSQT-HRCADAONSA-N 0 0 347.461 2.537 40 70 EFIBRN COc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000218103189 241298257 /nfs/dbraw/zinc/29/82/57/241298257.db2.gz HWZUYYXCGMZSQT-BZUAXINKSA-N 0 0 347.461 2.537 40 70 EFIBRN Brc1cccc(Cn2cc([C@@H]3OCCS3)nn2)c1 ZINC000216750749 532968289 /nfs/dbraw/zinc/96/82/89/532968289.db2.gz ANRNTJQRPCUYGF-GFCCVEGCSA-N 0 0 326.219 2.851 40 70 EFIBRN O=S(=O)(NCCOc1ccccc1Cl)c1ccc(F)cc1 ZINC000160087211 225335337 /nfs/dbraw/zinc/33/53/37/225335337.db2.gz RHAZBWFUVRLHFW-UHFFFAOYSA-N 0 0 329.780 2.836 40 70 EFIBRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 ZINC000161125437 473209017 /nfs/dbraw/zinc/20/90/17/473209017.db2.gz YXOKEZLYRLTPHX-OWJWWREXSA-N 0 0 348.424 2.931 40 70 EFIBRN CCCc1nc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)no1 ZINC000160399898 473117970 /nfs/dbraw/zinc/11/79/70/473117970.db2.gz XHJSJHDWXMSUKI-UHFFFAOYSA-N 0 0 329.447 2.750 40 70 EFIBRN Cc1ccc(F)c(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)c1 ZINC000160957700 473194095 /nfs/dbraw/zinc/19/40/95/473194095.db2.gz RKISYWRKXRHTIC-CYBMUJFWSA-N 0 0 329.437 2.838 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000160807807 534332681 /nfs/dbraw/zinc/33/26/81/534332681.db2.gz XTYKEPSOSMIEJB-UHFFFAOYSA-N 0 0 348.428 2.680 40 70 EFIBRN COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)c1 ZINC000216764176 537126094 /nfs/dbraw/zinc/12/60/94/537126094.db2.gz GLEXSELPEZNMTG-LJQANCHMSA-N 0 0 336.395 2.870 40 70 EFIBRN CN(C[C@H]1CCCOC1)C(=O)Nc1ccnn1Cc1ccccc1F ZINC000160448294 201412326 /nfs/dbraw/zinc/41/23/26/201412326.db2.gz GATAXXLUQBUWDV-CQSZACIVSA-N 0 0 346.406 2.961 40 70 EFIBRN O=C(Cc1c[nH]c2ccccc12)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217578055 241260600 /nfs/dbraw/zinc/26/06/00/241260600.db2.gz VIUYELJOUYDDEF-GOEBONIOSA-N 0 0 347.418 2.518 40 70 EFIBRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217814377 241277168 /nfs/dbraw/zinc/27/71/68/241277168.db2.gz CKSYXLMBPFTKQY-ZDUSSCGKSA-N 0 0 344.415 2.576 40 70 EFIBRN CN1c2ccccc2C(=O)N(C)[C@H]1c1cn(Cc2ccccc2)nn1 ZINC000216756737 241208239 /nfs/dbraw/zinc/20/82/39/241208239.db2.gz CIXZJITUQKIYQF-SFHVURJKSA-N 0 0 333.395 2.547 40 70 EFIBRN Fc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)cc1 ZINC000216772610 241209841 /nfs/dbraw/zinc/20/98/41/241209841.db2.gz OVVKFLWIXKTYPW-IBGZPJMESA-N 0 0 338.386 2.997 40 70 EFIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1 ZINC000216851966 241214731 /nfs/dbraw/zinc/21/47/31/241214731.db2.gz FVESILJQYLXMNJ-UHFFFAOYSA-N 0 0 345.472 2.703 40 70 EFIBRN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N)cc1OC ZINC000217366595 241245453 /nfs/dbraw/zinc/24/54/53/241245453.db2.gz XFKPADLVEJBXQM-UHFFFAOYSA-N 0 0 332.356 2.556 40 70 EFIBRN COc1ccc(OCC(=O)NCCCc2ccccc2OC)cc1 ZINC000217839490 241276479 /nfs/dbraw/zinc/27/64/79/241276479.db2.gz YHWIDAQSFMACMT-UHFFFAOYSA-N 0 0 329.396 2.832 40 70 EFIBRN COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2OC)cc1 ZINC000217945738 241285885 /nfs/dbraw/zinc/28/58/85/241285885.db2.gz QFNODOGFXVDGPA-CQSZACIVSA-N 0 0 345.395 2.666 40 70 EFIBRN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(C)oc1C ZINC000218005777 241289821 /nfs/dbraw/zinc/28/98/21/241289821.db2.gz QAXJPIXQWFFTMX-IBGZPJMESA-N 0 0 329.396 2.859 40 70 EFIBRN Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 ZINC000218076296 241295404 /nfs/dbraw/zinc/29/54/04/241295404.db2.gz KCCDVTQUXCGTRR-VSZNYVQBSA-N 0 0 340.471 2.638 40 70 EFIBRN O=C(Nc1nc2ccccc2s1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218112501 241297862 /nfs/dbraw/zinc/29/78/62/241297862.db2.gz ZYKKSSCFHQAKDV-TXEJJXNPSA-N 0 0 342.428 2.728 40 70 EFIBRN NC(=S)[C@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218644174 241337110 /nfs/dbraw/zinc/33/71/10/241337110.db2.gz MGMQYEPBINZPCI-KKUMJFAQSA-N 0 0 335.425 2.668 40 70 EFIBRN COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 ZINC000160087048 206279782 /nfs/dbraw/zinc/27/97/82/206279782.db2.gz FZLBQJBIJQVZSG-UHFFFAOYSA-N 0 0 341.816 2.706 40 70 EFIBRN CS[C@@H](C)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000161031846 206323414 /nfs/dbraw/zinc/32/34/14/206323414.db2.gz HWLSKIFBSGXROV-NSHDSACASA-N 0 0 326.487 2.611 40 70 EFIBRN C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)c1ccsc1 ZINC000160524818 473137734 /nfs/dbraw/zinc/13/77/34/473137734.db2.gz XYAMOOGIGOJEOR-HNNXBMFYSA-N 0 0 344.484 2.774 40 70 EFIBRN COc1ccc(OCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000217840432 536839536 /nfs/dbraw/zinc/83/95/36/536839536.db2.gz OFFZJFUQMITRPJ-HNNXBMFYSA-N 0 0 329.396 2.966 40 70 EFIBRN COc1ccc(-c2nnc([C@H]3CCCN(C(=O)C4CC4)C3)o2)cc1 ZINC000216663842 241203401 /nfs/dbraw/zinc/20/34/01/241203401.db2.gz LZUVCNFPRHLVRK-AWEZNQCLSA-N 0 0 327.384 2.861 40 70 EFIBRN COCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(OC)c2)c1 ZINC000216679060 241203430 /nfs/dbraw/zinc/20/34/30/241203430.db2.gz VYMKKPHOTWGXBR-KRWDZBQOSA-N 0 0 332.425 2.706 40 70 EFIBRN COCCN1C(=O)CS[C@H]1c1ccn(-c2ccc(OC)cc2)c1 ZINC000216679624 241204899 /nfs/dbraw/zinc/20/48/99/241204899.db2.gz NWQBCIUZPXKGHA-KRWDZBQOSA-N 0 0 332.425 2.706 40 70 EFIBRN Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217814298 241276775 /nfs/dbraw/zinc/27/67/75/241276775.db2.gz CKSYXLMBPFTKQY-CYBMUJFWSA-N 0 0 344.415 2.576 40 70 EFIBRN COc1cccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)c1 ZINC000216756392 241208077 /nfs/dbraw/zinc/20/80/77/241208077.db2.gz PDCSVOAGYGPVND-LJQANCHMSA-N 0 0 336.395 2.870 40 70 EFIBRN Fc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccco2)nn1 ZINC000216780126 241211036 /nfs/dbraw/zinc/21/10/36/241211036.db2.gz HKEGAZDDOSQJTF-KRWDZBQOSA-N 0 0 328.347 2.590 40 70 EFIBRN Fc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccccc2)nn1 ZINC000216772549 241211179 /nfs/dbraw/zinc/21/11/79/241211179.db2.gz OEIQMIFHSZHZFP-LJQANCHMSA-N 0 0 338.386 2.997 40 70 EFIBRN CN1CCN(c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)CC1 ZINC000216847167 241215360 /nfs/dbraw/zinc/21/53/60/241215360.db2.gz IUGGRRHGYIYCDT-UHFFFAOYSA-N 0 0 337.349 2.991 40 70 EFIBRN COc1cccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)c1 ZINC000216851925 241215719 /nfs/dbraw/zinc/21/57/19/241215719.db2.gz FJXXNNKTDXVNID-UHFFFAOYSA-N 0 0 345.472 2.703 40 70 EFIBRN C[C@]12C[C@@H]3C[C@](C(=O)NC(=S)N4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000217494090 241253269 /nfs/dbraw/zinc/25/32/69/241253269.db2.gz ZHGZBTLLWHQADW-MHCYPSPTSA-N 0 0 336.501 2.716 40 70 EFIBRN O=C(NCC[C@H](O)C1CCOCC1)c1ccccc1C(F)(F)F ZINC000217919254 241283567 /nfs/dbraw/zinc/28/35/67/241283567.db2.gz FCPUWEDCADQBAE-AWEZNQCLSA-N 0 0 331.334 2.613 40 70 EFIBRN CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217940396 241285248 /nfs/dbraw/zinc/28/52/48/241285248.db2.gz IXZWAJLMNLKUCF-QGZVFWFLSA-N 0 0 347.436 2.980 40 70 EFIBRN Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 ZINC000218076217 241296700 /nfs/dbraw/zinc/29/67/00/241296700.db2.gz KCCDVTQUXCGTRR-XMTFNYHQSA-N 0 0 340.471 2.638 40 70 EFIBRN CC[C@H](NC(=O)c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000218169935 241304338 /nfs/dbraw/zinc/30/43/38/241304338.db2.gz LVPNFADRNYIVNJ-INIZCTEOSA-N 0 0 347.436 2.980 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2cccc(F)c2)cc1 ZINC000218644833 241337126 /nfs/dbraw/zinc/33/71/26/241337126.db2.gz YUWIKAQHOVVEKM-ARFHVFGLSA-N 0 0 349.452 2.976 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2cccc(F)c2)cc1 ZINC000218644748 241337436 /nfs/dbraw/zinc/33/74/36/241337436.db2.gz YUWIKAQHOVVEKM-XHSDSOJGSA-N 0 0 349.452 2.976 40 70 EFIBRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000161121356 473209368 /nfs/dbraw/zinc/20/93/68/473209368.db2.gz QSDSQLXPGGDMEK-USXIJHARSA-N 0 0 332.444 2.709 40 70 EFIBRN COc1cc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)ccc1C ZINC000159730794 473055182 /nfs/dbraw/zinc/05/51/82/473055182.db2.gz FXLAANOUWDZXPB-UHFFFAOYSA-N 0 0 340.301 2.980 40 70 EFIBRN Fc1cc(F)c2nccc(NC[C@@H]3COC4(CCOCC4)O3)c2c1 ZINC000160290209 534446961 /nfs/dbraw/zinc/44/69/61/534446961.db2.gz ABRSPDWLMJZQQF-GFCCVEGCSA-N 0 0 336.338 2.847 40 70 EFIBRN CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 ZINC000218169878 535801011 /nfs/dbraw/zinc/80/10/11/535801011.db2.gz LVPNFADRNYIVNJ-MRXNPFEDSA-N 0 0 347.436 2.980 40 70 EFIBRN COc1cccc(-c2nnc([C@@H]3CCCN(C(=O)C4CC4)C3)o2)c1 ZINC000216663465 537070183 /nfs/dbraw/zinc/07/01/83/537070183.db2.gz VSSWSQHYWSWQAM-CQSZACIVSA-N 0 0 327.384 2.861 40 70 EFIBRN CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3C)o2)C1 ZINC000216645874 241202305 /nfs/dbraw/zinc/20/23/05/241202305.db2.gz AQUHRZWTMIHGSF-CYBMUJFWSA-N 0 0 335.429 2.574 40 70 EFIBRN O=S(=O)(c1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217819783 241276588 /nfs/dbraw/zinc/27/65/88/241276588.db2.gz WCKXXDLIQPFWTH-CYBMUJFWSA-N 0 0 347.440 2.590 40 70 EFIBRN O=C(c1cc2ccccc2[nH]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217578707 241261171 /nfs/dbraw/zinc/26/11/71/241261171.db2.gz LRRWNVOKVFXXBP-DZGCQCFKSA-N 0 0 333.391 2.589 40 70 EFIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1Cl ZINC000216850061 241215019 /nfs/dbraw/zinc/21/50/19/241215019.db2.gz LFWVFMFFLPUYBX-UHFFFAOYSA-N 0 0 347.850 2.942 40 70 EFIBRN COc1ccc(OCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000217840487 241277337 /nfs/dbraw/zinc/27/73/37/241277337.db2.gz OFFZJFUQMITRPJ-OAHLLOKOSA-N 0 0 329.396 2.966 40 70 EFIBRN O=C(NCC[C@@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000217919141 241284072 /nfs/dbraw/zinc/28/40/72/241284072.db2.gz VFMAULXACHPANG-CQSZACIVSA-N 0 0 331.334 2.613 40 70 EFIBRN Cn1ccc2c1cccc2C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218099167 241298282 /nfs/dbraw/zinc/29/82/82/241298282.db2.gz PLBPAHNVTHUNBW-LSDHHAIUSA-N 0 0 347.418 2.600 40 70 EFIBRN CN(C)c1cccc(C(=O)Nc2cnn(CC3CCOCC3)c2)c1 ZINC000218222557 241308569 /nfs/dbraw/zinc/30/85/69/241308569.db2.gz KBZACJBUZLRPCR-UHFFFAOYSA-N 0 0 328.416 2.628 40 70 EFIBRN NC(=S)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218642946 241337196 /nfs/dbraw/zinc/33/71/96/241337196.db2.gz JQUJYVJBBAFIAA-KFWWJZLASA-N 0 0 335.425 2.668 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2ccc(F)cc2)cc1 ZINC000218643496 241337416 /nfs/dbraw/zinc/33/74/16/241337416.db2.gz GPOXIWHCQQUSOG-ARFHVFGLSA-N 0 0 349.452 2.976 40 70 EFIBRN O=S(=O)(Cc1ccccc1F)NCCOc1ccccc1Cl ZINC000160083668 225333764 /nfs/dbraw/zinc/33/37/64/225333764.db2.gz LLPFLUWQBJLDFV-UHFFFAOYSA-N 0 0 343.807 2.978 40 70 EFIBRN CCN(CC)C(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000216890556 279084911 /nfs/dbraw/zinc/08/49/11/279084911.db2.gz AWZREJLNCHLNFP-UHFFFAOYSA-N 0 0 344.436 2.974 40 70 EFIBRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000161121140 473209283 /nfs/dbraw/zinc/20/92/83/473209283.db2.gz QSDSQLXPGGDMEK-BHYGNILZSA-N 0 0 332.444 2.709 40 70 EFIBRN COc1ccccc1CCCNC(=O)[C@H]1COc2ccccc2O1 ZINC000218297891 537031329 /nfs/dbraw/zinc/03/13/29/537031329.db2.gz KBGJZTRFFVTGLM-GOSISDBHSA-N 0 0 327.380 2.584 40 70 EFIBRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc(-c3ccccc3)no2)C1 ZINC000217567116 241260829 /nfs/dbraw/zinc/26/08/29/241260829.db2.gz UYLSVAPXNPDVOB-GOEBONIOSA-N 0 0 348.406 2.518 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2ccccc2)cc1 ZINC000218053963 241293253 /nfs/dbraw/zinc/29/32/53/241293253.db2.gz NFAJUOPBDPYOSC-ARFHVFGLSA-N 0 0 331.462 2.837 40 70 EFIBRN NC(=S)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218643008 241336856 /nfs/dbraw/zinc/33/68/56/241336856.db2.gz JQUJYVJBBAFIAA-ILXRZTDVSA-N 0 0 335.425 2.668 40 70 EFIBRN NC(=S)[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218642875 241337592 /nfs/dbraw/zinc/33/75/92/241337592.db2.gz JQUJYVJBBAFIAA-KKUMJFAQSA-N 0 0 335.425 2.668 40 70 EFIBRN COc1ccc(OCC(=O)NCCOc2ccccc2Cl)cc1 ZINC000159443720 533002860 /nfs/dbraw/zinc/00/28/60/533002860.db2.gz HKIHFMSHQMOYOM-UHFFFAOYSA-N 0 0 335.787 2.923 40 70 EFIBRN CCc1nc([C@@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)cs1 ZINC000159649942 323222212 /nfs/dbraw/zinc/22/22/12/323222212.db2.gz VSZJYPQFVKBWDF-VXGBXAGGSA-N 0 0 349.460 2.821 40 70 EFIBRN Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 ZINC000161125296 473209102 /nfs/dbraw/zinc/20/91/02/473209102.db2.gz YXOKEZLYRLTPHX-OYLFLEFRSA-N 0 0 348.424 2.931 40 70 EFIBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2ccc(F)cc2)cc1 ZINC000218643416 474146686 /nfs/dbraw/zinc/14/66/86/474146686.db2.gz GPOXIWHCQQUSOG-XHSDSOJGSA-N 0 0 349.452 2.976 40 70 EFIBRN COC(=O)c1csc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000160737475 534332670 /nfs/dbraw/zinc/33/26/70/534332670.db2.gz YQHNAKMUHPFRSB-LBPRGKRZSA-N 0 0 334.401 2.637 40 70 EFIBRN