smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)COc1c(I)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000000623315 551503150 /nfs/dbraw/zinc/50/31/50/551503150.db2.gz KIIVWMYZJQQVOX-VCHYOVAHSA-N 0 0 505.308 4.608 50 30 KJEARN C=C(C)COc1c(I)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000000623316 551503200 /nfs/dbraw/zinc/50/32/00/551503200.db2.gz KIIVWMYZJQQVOX-ZDLGFXPLSA-N 0 0 505.308 4.608 50 30 KJEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000000627112 551503949 /nfs/dbraw/zinc/50/39/49/551503949.db2.gz XQVKYWVDHTYDKK-UHFFFAOYSA-N 0 0 521.395 4.979 50 30 KJEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000000628349 551504240 /nfs/dbraw/zinc/50/42/40/551504240.db2.gz FAXBMAQCAMCSRL-UHFFFAOYSA-N 0 0 509.584 4.587 50 30 aggregator KJEARN C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000000628770 193858574 /nfs/dbraw/zinc/85/85/74/193858574.db2.gz CIEXFXJPIRQNPS-UHFFFAOYSA-N 0 0 561.664 4.979 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000000631332 551505035 /nfs/dbraw/zinc/50/50/35/551505035.db2.gz CBWJVJHBDRJKNT-OAQYLSRUSA-N 0 0 522.579 4.737 50 30 KJEARN C=CCN(c1cc2c(C)cn(S(=O)(=O)c3ccccc3)c2c(OCc2ccccc2)c1)S(C)(=O)=O ZINC000000631621 551505485 /nfs/dbraw/zinc/50/54/85/551505485.db2.gz MZENASMHSLROCL-UHFFFAOYSA-N 0 0 510.637 4.718 50 30 KJEARN C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccccc3)c2c1=O ZINC000000632070 551505424 /nfs/dbraw/zinc/50/54/24/551505424.db2.gz HFEOCFXAZJELQI-UHFFFAOYSA-N 0 0 543.674 4.840 50 30 KJEARN COc1c(Br)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c(OC)c1Br ZINC000000637022 193861268 /nfs/dbraw/zinc/86/12/68/193861268.db2.gz MCAAOSVJRVOWHM-UHFFFAOYSA-N 0 0 511.210 4.930 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000000639212 551506835 /nfs/dbraw/zinc/50/68/35/551506835.db2.gz RSPGHEMFJKULON-NRFANRHFSA-N 0 0 528.399 4.891 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000000648012 551509084 /nfs/dbraw/zinc/50/90/84/551509084.db2.gz ZSEVJZBDTZXHPU-QYBDOPJKSA-N 0 0 507.583 4.646 50 30 KJEARN N#Cc1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)CCCC2 ZINC000000648014 551509101 /nfs/dbraw/zinc/50/91/01/551509101.db2.gz ALQCFXOAGNPBTF-UHFFFAOYSA-N 0 0 500.447 4.633 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000000648015 551509117 /nfs/dbraw/zinc/50/91/17/551509117.db2.gz ZSEVJZBDTZXHPU-HFJWLAOPSA-N 0 0 507.583 4.646 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000000648019 551509120 /nfs/dbraw/zinc/50/91/20/551509120.db2.gz ZSEVJZBDTZXHPU-DWXRJYCRSA-N 0 0 507.583 4.646 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000000648024 551509112 /nfs/dbraw/zinc/50/91/12/551509112.db2.gz ZSEVJZBDTZXHPU-WXTAPIANSA-N 0 0 507.583 4.646 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2ccc(OC)cc2)c(OC)c1 ZINC000000648508 551509969 /nfs/dbraw/zinc/50/99/69/551509969.db2.gz WYSNRRIXNVHTMO-XMMPIXPASA-N 0 0 507.583 4.773 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2ccc(OC)cc2)c(OC)c1 ZINC000000648510 551509983 /nfs/dbraw/zinc/50/99/83/551509983.db2.gz WYSNRRIXNVHTMO-DEOSSOPVSA-N 0 0 507.583 4.773 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000000648535 551509957 /nfs/dbraw/zinc/50/99/57/551509957.db2.gz OVZYYTXYXRMJEF-HXUWFJFHSA-N 0 0 502.361 4.721 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000000648537 551509939 /nfs/dbraw/zinc/50/99/39/551509939.db2.gz OVZYYTXYXRMJEF-FQEVSTJZSA-N 0 0 502.361 4.721 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000000648623 193865538 /nfs/dbraw/zinc/86/55/38/193865538.db2.gz YIOLZHOQNOKUHZ-HXUWFJFHSA-N 0 0 502.361 4.721 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000000648624 551510104 /nfs/dbraw/zinc/51/01/04/551510104.db2.gz YIOLZHOQNOKUHZ-FQEVSTJZSA-N 0 0 502.361 4.721 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000648886 551510102 /nfs/dbraw/zinc/51/01/02/551510102.db2.gz BDTVMDWNTPWHRV-XHCCPWGMSA-N 0 0 507.583 4.731 50 30 KJEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000648891 551510145 /nfs/dbraw/zinc/51/01/45/551510145.db2.gz BDTVMDWNTPWHRV-WINIVTDRSA-N 0 0 507.583 4.731 50 30 KJEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000648900 193866072 /nfs/dbraw/zinc/86/60/72/193866072.db2.gz BDTVMDWNTPWHRV-PPHZAIPVSA-N 0 0 507.583 4.731 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000648904 551510120 /nfs/dbraw/zinc/51/01/20/551510120.db2.gz FGSASVTWXCQRNZ-XHCCPWGMSA-N 0 0 507.583 4.731 50 30 KJEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000648908 551510107 /nfs/dbraw/zinc/51/01/07/551510107.db2.gz FGSASVTWXCQRNZ-WINIVTDRSA-N 0 0 507.583 4.731 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000648910 551510084 /nfs/dbraw/zinc/51/00/84/551510084.db2.gz FGSASVTWXCQRNZ-UZTOHYMASA-N 0 0 507.583 4.731 50 30 KJEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000648912 551510115 /nfs/dbraw/zinc/51/01/15/551510115.db2.gz FGSASVTWXCQRNZ-PPHZAIPVSA-N 0 0 507.583 4.731 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000000649374 193866717 /nfs/dbraw/zinc/86/67/17/193866717.db2.gz ULKHVATVDQTYRV-QFIPXVFZSA-N 0 0 501.938 4.921 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649497 551511250 /nfs/dbraw/zinc/51/12/50/551511250.db2.gz LEMKIGITHWGUGA-JOCHJYFZSA-N 0 0 528.399 4.891 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649499 551511282 /nfs/dbraw/zinc/51/12/82/551511282.db2.gz LEMKIGITHWGUGA-QFIPXVFZSA-N 0 0 528.399 4.891 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000000649506 551511284 /nfs/dbraw/zinc/51/12/84/551511284.db2.gz LMQRELYISKNGRI-JOCHJYFZSA-N 0 0 501.938 4.921 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000000649508 193867237 /nfs/dbraw/zinc/86/72/37/193867237.db2.gz LMQRELYISKNGRI-QFIPXVFZSA-N 0 0 501.938 4.921 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000649592 551511412 /nfs/dbraw/zinc/51/14/12/551511412.db2.gz PCANUTOEVSBSNJ-OYLFLEFRSA-N 0 0 558.425 4.715 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000649595 551511422 /nfs/dbraw/zinc/51/14/22/551511422.db2.gz PCANUTOEVSBSNJ-MYYSRTQBSA-N 0 0 558.425 4.715 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000649600 551511403 /nfs/dbraw/zinc/51/14/03/551511403.db2.gz PCANUTOEVSBSNJ-IZHWHUGBSA-N 0 0 558.425 4.715 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000649605 551511370 /nfs/dbraw/zinc/51/13/70/551511370.db2.gz PCANUTOEVSBSNJ-OWJWWREXSA-N 0 0 558.425 4.715 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649632 193867232 /nfs/dbraw/zinc/86/72/32/193867232.db2.gz MNLBSRBRCRBSHY-PIIWDFAUSA-N 0 0 521.610 4.979 50 30 KJEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649638 551511400 /nfs/dbraw/zinc/51/14/00/551511400.db2.gz MNLBSRBRCRBSHY-NGOKVRLYSA-N 0 0 521.610 4.979 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649643 193867195 /nfs/dbraw/zinc/86/71/95/193867195.db2.gz MNLBSRBRCRBSHY-WTYVLRPYSA-N 0 0 521.610 4.979 50 30 KJEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649644 551511355 /nfs/dbraw/zinc/51/13/55/551511355.db2.gz MNLBSRBRCRBSHY-MMTVBGGISA-N 0 0 521.610 4.979 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000649648 551511344 /nfs/dbraw/zinc/51/13/44/551511344.db2.gz MVNSCLVEJWRJIG-PIIWDFAUSA-N 0 0 521.610 4.979 50 30 KJEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000649652 551511378 /nfs/dbraw/zinc/51/13/78/551511378.db2.gz MVNSCLVEJWRJIG-NGOKVRLYSA-N 0 0 521.610 4.979 50 30 KJEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000649658 551511433 /nfs/dbraw/zinc/51/14/33/551511433.db2.gz MVNSCLVEJWRJIG-MMTVBGGISA-N 0 0 521.610 4.979 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649689 551511325 /nfs/dbraw/zinc/51/13/25/551511325.db2.gz DYQUGZZXRUIOJY-JIPXPUAJSA-N 0 0 519.594 4.804 50 30 KJEARN COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649692 551511381 /nfs/dbraw/zinc/51/13/81/551511381.db2.gz DYQUGZZXRUIOJY-ZBLYBZFDSA-N 0 0 519.594 4.804 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649695 193867564 /nfs/dbraw/zinc/86/75/64/193867564.db2.gz DYQUGZZXRUIOJY-KDYSTLNUSA-N 0 0 519.594 4.804 50 30 KJEARN COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649698 193867498 /nfs/dbraw/zinc/86/74/98/193867498.db2.gz DYQUGZZXRUIOJY-IDISGSTGSA-N 0 0 519.594 4.804 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000649767 193867538 /nfs/dbraw/zinc/86/75/38/193867538.db2.gz AFXDJVUUQKGNFI-MMTVBGGISA-N 0 0 535.593 4.562 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000649773 551511410 /nfs/dbraw/zinc/51/14/10/551511410.db2.gz AFXDJVUUQKGNFI-WTYVLRPYSA-N 0 0 535.593 4.562 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000649777 193867672 /nfs/dbraw/zinc/86/76/72/193867672.db2.gz AFXDJVUUQKGNFI-NGOKVRLYSA-N 0 0 535.593 4.562 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000649782 551511321 /nfs/dbraw/zinc/51/13/21/551511321.db2.gz AFXDJVUUQKGNFI-PIIWDFAUSA-N 0 0 535.593 4.562 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650170 193867984 /nfs/dbraw/zinc/86/79/84/193867984.db2.gz 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/nfs/dbraw/zinc/51/36/44/551513644.db2.gz RIAVRDWCKBZWMS-VWLOTQADSA-N 0 0 506.555 4.959 50 30 KJEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000000659106 551514822 /nfs/dbraw/zinc/51/48/22/551514822.db2.gz AQYWUKMDLJFWHS-HSZRJFAPSA-N 0 0 528.399 4.883 50 30 KJEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000000659111 551514817 /nfs/dbraw/zinc/51/48/17/551514817.db2.gz AQYWUKMDLJFWHS-QHCPKHFHSA-N 0 0 528.399 4.883 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000659128 551514787 /nfs/dbraw/zinc/51/47/87/551514787.db2.gz JSTYJSLFLIVBIP-IQMFZBJNSA-N 0 0 528.399 4.707 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000659132 551514804 /nfs/dbraw/zinc/51/48/04/551514804.db2.gz JSTYJSLFLIVBIP-CMJOXMDJSA-N 0 0 528.399 4.707 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000659136 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O=C(CN1C(C(=O)c2ccccc2)=C(N2CCCCC2)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000000716096 551534299 /nfs/dbraw/zinc/53/42/99/551534299.db2.gz ZZRVJUFWXZLJNR-UHFFFAOYSA-N 0 0 531.590 4.519 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000000717219 551534675 /nfs/dbraw/zinc/53/46/75/551534675.db2.gz JOVFDWUVGDJSKV-SKCUWOTOSA-N 0 0 503.595 4.964 50 30 biogenic KJEARN COc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000000717221 551534652 /nfs/dbraw/zinc/53/46/52/551534652.db2.gz JOVFDWUVGDJSKV-RBISFHTESA-N 0 0 503.595 4.964 50 30 biogenic KJEARN COc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000000717222 551534602 /nfs/dbraw/zinc/53/46/02/551534602.db2.gz JOVFDWUVGDJSKV-DWACAAAGSA-N 0 0 503.595 4.964 50 30 biogenic KJEARN COc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1OC ZINC000000717493 551534804 /nfs/dbraw/zinc/53/48/04/551534804.db2.gz QVPGNMYQGTVHAB-QJMRKGMQSA-N 0 0 539.650 4.858 50 30 KJEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000717686 551534807 /nfs/dbraw/zinc/53/48/07/551534807.db2.gz HKBLEGXWTKSSFK-JDRJUVJTSA-N 0 0 507.608 4.757 50 30 KJEARN Cn1c2nc(Oc3ccc(Oc4ncc(Cl)cc4Cl)cc3)n(Cc3ccc(C#N)cc3)c2c(=O)n(C)c1=O ZINC000000720296 551536910 /nfs/dbraw/zinc/53/69/10/551536910.db2.gz GWMJRVZMTFRDBT-UHFFFAOYSA-N 0 0 549.374 4.640 50 30 KJEARN COc1cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000000729421 551539097 /nfs/dbraw/zinc/53/90/97/551539097.db2.gz XWDJBESBZVNGAR-NDEPHWFRSA-N 0 0 516.638 4.737 50 30 KJEARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1nc(C)ccc1C#N ZINC000000792906 551542563 /nfs/dbraw/zinc/54/25/63/551542563.db2.gz JKKTYFSOYYVOEH-UHFFFAOYSA-N 0 0 502.390 4.910 50 30 KJEARN Cc1c(/N=C/c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000823233 551544354 /nfs/dbraw/zinc/54/43/54/551544354.db2.gz UBJZQAZIHPDEKB-GKTLAHRSSA-N 0 0 504.594 4.783 50 30 KJEARN N#Cc1c(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)sc2c1CCCC2 ZINC000000827238 551545422 /nfs/dbraw/zinc/54/54/22/551545422.db2.gz GQWAFLPZZDJXRO-UHFFFAOYSA-N 0 0 508.463 4.688 50 30 KJEARN C#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4cccc(C#C)c4)c2)C3=O)c1 ZINC000000844875 551548076 /nfs/dbraw/zinc/54/80/76/551548076.db2.gz XORFNWHFOIJFSS-UHFFFAOYSA-N 0 0 509.521 4.954 50 30 KJEARN O=S(=O)(c1cc(Cl)c(OC[C@H]2CO2)c(Cl)c1)c1cc(Cl)c(OC[C@H]2CO2)c(Cl)c1 ZINC000000853009 551549854 /nfs/dbraw/zinc/54/98/54/551549854.db2.gz SIODTWFLQSTCNV-NXEZZACHSA-N 0 0 500.183 4.688 50 30 KJEARN O=S(=O)(c1cc(Cl)c(OC[C@@H]2CO2)c(Cl)c1)c1cc(Cl)c(OC[C@@H]2CO2)c(Cl)c1 ZINC000000853012 551550190 /nfs/dbraw/zinc/55/01/90/551550190.db2.gz SIODTWFLQSTCNV-UWVGGRQHSA-N 0 0 500.183 4.688 50 30 KJEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000861187 551551037 /nfs/dbraw/zinc/55/10/37/551551037.db2.gz OZAFYPGWBWUDRY-JLCFBVMHSA-N 0 0 518.404 4.504 50 30 biogenic KJEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000861188 551551050 /nfs/dbraw/zinc/55/10/50/551551050.db2.gz OZAFYPGWBWUDRY-PEBXRYMYSA-N 0 0 518.404 4.504 50 30 biogenic KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000861189 551551005 /nfs/dbraw/zinc/55/10/05/551551005.db2.gz OZAFYPGWBWUDRY-RCDICMHDSA-N 0 0 518.404 4.504 50 30 biogenic KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000861190 551551031 /nfs/dbraw/zinc/55/10/31/551551031.db2.gz OZAFYPGWBWUDRY-FPTDNZKUSA-N 0 0 518.404 4.504 50 30 biogenic KJEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861428 551551542 /nfs/dbraw/zinc/55/15/42/551551542.db2.gz CXMBPRYNFCJEEL-NFQMXDRXSA-N 0 0 505.567 4.554 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861429 551551564 /nfs/dbraw/zinc/55/15/64/551551564.db2.gz CXMBPRYNFCJEEL-HRFSGMKKSA-N 0 0 505.567 4.554 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861430 551551507 /nfs/dbraw/zinc/55/15/07/551551507.db2.gz CXMBPRYNFCJEEL-CCLHPLFOSA-N 0 0 505.567 4.554 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861431 551551504 /nfs/dbraw/zinc/55/15/04/551551504.db2.gz CXMBPRYNFCJEEL-DCFHFQCYSA-N 0 0 505.567 4.554 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863436 551551864 /nfs/dbraw/zinc/55/18/64/551551864.db2.gz GCCWDGOLMBAUPH-NIYFSFCBSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863437 551551900 /nfs/dbraw/zinc/55/19/00/551551900.db2.gz GCCWDGOLMBAUPH-BCHFMIIMSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863438 551551902 /nfs/dbraw/zinc/55/19/02/551551902.db2.gz GCCWDGOLMBAUPH-AFMDSPMNSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863439 551551887 /nfs/dbraw/zinc/55/18/87/551551887.db2.gz GCCWDGOLMBAUPH-SIBVEZHUSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863466 551551982 /nfs/dbraw/zinc/55/19/82/551551982.db2.gz SUZOOUBBFYUSMJ-NIYFSFCBSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863467 551552020 /nfs/dbraw/zinc/55/20/20/551552020.db2.gz SUZOOUBBFYUSMJ-BCHFMIIMSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863468 551552002 /nfs/dbraw/zinc/55/20/02/551552002.db2.gz SUZOOUBBFYUSMJ-AFMDSPMNSA-N 0 0 506.555 4.925 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863469 551551993 /nfs/dbraw/zinc/55/19/93/551551993.db2.gz SUZOOUBBFYUSMJ-SIBVEZHUSA-N 0 0 506.555 4.925 50 30 KJEARN Cc1c(NC(=S)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000000939342 551587547 /nfs/dbraw/zinc/58/75/47/551587547.db2.gz BNSMYEDEKNZGBB-AFUMVMLFSA-N 0 0 510.417 4.827 50 30 KJEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n21 ZINC000000970872 551590661 /nfs/dbraw/zinc/59/06/61/551590661.db2.gz UMIKPCQVIXFVMH-FSFYKJEYSA-N 0 0 507.615 4.776 50 30 KJEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n21 ZINC000000970874 551590686 /nfs/dbraw/zinc/59/06/86/551590686.db2.gz UMIKPCQVIXFVMH-ZUCAMLDZSA-N 0 0 507.615 4.776 50 30 KJEARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CSC1=CC(=O)C(Cl)=C(Cl)C1=O ZINC000000978296 551591437 /nfs/dbraw/zinc/59/14/37/551591437.db2.gz UKBWOSOHFZPJNA-UHFFFAOYSA-N 0 0 519.200 4.781 50 30 KJEARN C#CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000000979918 551591468 /nfs/dbraw/zinc/59/14/68/551591468.db2.gz WINMUCNAKWAMBR-VXLYETTFSA-N 0 0 503.330 4.614 50 30 KJEARN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000000979977 551591777 /nfs/dbraw/zinc/59/17/77/551591777.db2.gz PKPWNBZTDWEBQJ-XDHOZWIPSA-N 0 0 580.375 4.516 50 30 KJEARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000000980988 551592074 /nfs/dbraw/zinc/59/20/74/551592074.db2.gz FJBLNKZYAUCMMW-LPKQHDGYSA-N 0 0 515.385 4.888 50 30 KJEARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000000980990 551592025 /nfs/dbraw/zinc/59/20/25/551592025.db2.gz FJBLNKZYAUCMMW-GNKPEBMXSA-N 0 0 515.385 4.888 50 30 KJEARN C=CCn1c(SCCC(=O)NCc2ccc(OCC)cc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000984973 551592535 /nfs/dbraw/zinc/59/25/35/551592535.db2.gz ULAWRIVEWDUOKU-UHFFFAOYSA-N 0 0 513.685 4.693 50 30 KJEARN CC1=C(C(=O)c2ccccc2)[C@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000989379 551593216 /nfs/dbraw/zinc/59/32/16/551593216.db2.gz FHFAHTYQAOWTHT-MUUNZHRXSA-N 0 0 545.389 4.740 50 30 KJEARN CC1=C(C(=O)c2ccccc2)[C@@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000989380 551593229 /nfs/dbraw/zinc/59/32/29/551593229.db2.gz FHFAHTYQAOWTHT-NDEPHWFRSA-N 0 0 545.389 4.740 50 30 KJEARN CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc(I)c1OCC(N)=O ZINC000000998893 551595088 /nfs/dbraw/zinc/59/50/88/551595088.db2.gz COQGXNDIMGWREP-UDWIEESQSA-N 0 0 573.412 4.599 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000001003357 551595998 /nfs/dbraw/zinc/59/59/98/551595998.db2.gz WTWYYSMLYCVBKR-VWLOTQADSA-N 0 0 510.518 4.853 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000001003358 551595980 /nfs/dbraw/zinc/59/59/80/551595980.db2.gz WTWYYSMLYCVBKR-RUZDIDTESA-N 0 0 510.518 4.853 50 30 KJEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)n2)cc1 ZINC000001010138 551596510 /nfs/dbraw/zinc/59/65/10/551596510.db2.gz SKYZNSXTSMHCSV-UHFFFAOYSA-N 0 0 525.512 4.606 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000001010315 551596745 /nfs/dbraw/zinc/59/67/45/551596745.db2.gz DHQVISDCYSOTCY-ZDJNHPEVSA-N 0 0 533.621 4.808 50 30 KJEARN COc1ccc(/N=C2/S/C(=C\c3cc(I)c(Br)o3)C(=O)N2C)cc1 ZINC000001014756 551596917 /nfs/dbraw/zinc/59/69/17/551596917.db2.gz ZFJULJMMDLXUHG-CZNZVWFISA-N 0 0 519.158 4.889 50 30 KJEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(C4CC4)c3C)c(=O)n21 ZINC000001015515 551596985 /nfs/dbraw/zinc/59/69/85/551596985.db2.gz UOZNUTBNLYPMQJ-FSFYKJEYSA-N 0 0 511.647 4.739 50 30 KJEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(C4CC4)c3C)c(=O)n21 ZINC000001015517 551596906 /nfs/dbraw/zinc/59/69/06/551596906.db2.gz UOZNUTBNLYPMQJ-ZUCAMLDZSA-N 0 0 511.647 4.739 50 30 KJEARN C#Cc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C#C)c3)cc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000001022216 551597190 /nfs/dbraw/zinc/59/71/90/551597190.db2.gz DLRPHOSBFYTCAM-UHFFFAOYSA-N 0 0 509.521 4.954 50 30 KJEARN CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001022936 551597272 /nfs/dbraw/zinc/59/72/72/551597272.db2.gz FZDNFUGEPQWLDG-XMMPIXPASA-N 0 0 536.625 4.701 50 30 KJEARN CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001022937 551597262 /nfs/dbraw/zinc/59/72/62/551597262.db2.gz FZDNFUGEPQWLDG-DEOSSOPVSA-N 0 0 536.625 4.701 50 30 KJEARN COc1ccccc1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n21 ZINC000001024790 551597574 /nfs/dbraw/zinc/59/75/74/551597574.db2.gz LFDACJULUPQXTB-CRCYZHLCSA-N 0 0 532.065 4.894 50 30 KJEARN COc1ccccc1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n21 ZINC000001024792 551597506 /nfs/dbraw/zinc/59/75/06/551597506.db2.gz LFDACJULUPQXTB-SUAMDDGLSA-N 0 0 532.065 4.894 50 30 KJEARN COc1ccccc1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n21 ZINC000001024795 551597562 /nfs/dbraw/zinc/59/75/62/551597562.db2.gz LFDACJULUPQXTB-FQKMCRJQSA-N 0 0 532.065 4.894 50 30 KJEARN COc1ccccc1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n21 ZINC000001024798 551597555 /nfs/dbraw/zinc/59/75/55/551597555.db2.gz LFDACJULUPQXTB-MFCBUNOESA-N 0 0 532.065 4.894 50 30 KJEARN CC(C)(C)[C@H](NC1=NC(=S)N(CC#N)C12CCCCC2)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000001030840 551598140 /nfs/dbraw/zinc/59/81/40/551598140.db2.gz GCRWITVFDLJINC-WOJBJXKFSA-N 0 0 500.072 4.739 50 30 KJEARN CC(C)(C)[C@@H](NC1=NC(=S)N(CC#N)C12CCCCC2)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000001030841 551598128 /nfs/dbraw/zinc/59/81/28/551598128.db2.gz GCRWITVFDLJINC-VQTJNVASSA-N 0 0 500.072 4.739 50 30 KJEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c3)sc2C1 ZINC000001050260 551599723 /nfs/dbraw/zinc/59/97/23/551599723.db2.gz BJELQZSTIYWDIB-SFHVURJKSA-N 0 0 538.670 4.647 50 30 KJEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c3)sc2C1 ZINC000001050263 551599700 /nfs/dbraw/zinc/59/97/00/551599700.db2.gz BJELQZSTIYWDIB-GOSISDBHSA-N 0 0 538.670 4.647 50 30 KJEARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1 ZINC000001050761 551599712 /nfs/dbraw/zinc/59/97/12/551599712.db2.gz CRLCLLSRECJGPO-GOSISDBHSA-N 0 0 517.891 4.920 50 30 KJEARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1 ZINC000001050763 551599696 /nfs/dbraw/zinc/59/96/96/551599696.db2.gz CRLCLLSRECJGPO-SFHVURJKSA-N 0 0 517.891 4.920 50 30 KJEARN C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001051086 551599757 /nfs/dbraw/zinc/59/97/57/551599757.db2.gz LKFPNJNXKPRCKW-UHFFFAOYSA-N 0 0 503.609 4.909 50 30 KJEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001058575 551600604 /nfs/dbraw/zinc/60/06/04/551600604.db2.gz SPYRRBQAQPBZRA-HSZRJFAPSA-N 0 0 506.599 4.693 50 30 KJEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001058577 551600490 /nfs/dbraw/zinc/60/04/90/551600490.db2.gz SPYRRBQAQPBZRA-QHCPKHFHSA-N 0 0 506.599 4.693 50 30 KJEARN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000001062997 551601269 /nfs/dbraw/zinc/60/12/69/551601269.db2.gz ZOUPJVPFCVMUOB-WQNUKSJVSA-N 0 0 562.091 4.902 50 30 KJEARN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000001063000 551601208 /nfs/dbraw/zinc/60/12/08/551601208.db2.gz ZOUPJVPFCVMUOB-DQARITGZSA-N 0 0 562.091 4.902 50 30 KJEARN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccc(Cl)cc5)c4C)c(=O)n32)c(OC)c1 ZINC000001063002 551601134 /nfs/dbraw/zinc/60/11/34/551601134.db2.gz ZOUPJVPFCVMUOB-YRSDHNRQSA-N 0 0 562.091 4.902 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001064970 551601528 /nfs/dbraw/zinc/60/15/28/551601528.db2.gz CDVRNYQUEFSAJK-JBEBIEQOSA-N 0 0 588.451 4.724 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001064972 551601422 /nfs/dbraw/zinc/60/14/22/551601422.db2.gz CDVRNYQUEFSAJK-SHACYNPGSA-N 0 0 588.451 4.724 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001064973 551601518 /nfs/dbraw/zinc/60/15/18/551601518.db2.gz CDVRNYQUEFSAJK-LFPIHBKWSA-N 0 0 588.451 4.724 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001064974 551601459 /nfs/dbraw/zinc/60/14/59/551601459.db2.gz CDVRNYQUEFSAJK-BSEYFRJRSA-N 0 0 588.451 4.724 50 30 KJEARN COc1ccc(/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000001067783 551602137 /nfs/dbraw/zinc/60/21/37/551602137.db2.gz AJPTWUPZGHITLE-GNVQSUKOSA-N 0 0 517.494 4.787 50 30 biogenic KJEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000001074404 551603432 /nfs/dbraw/zinc/60/34/32/551603432.db2.gz DTVHQMBJSLZZTC-AYWVHJORSA-N 0 0 529.681 4.902 50 30 KJEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000001074413 551603508 /nfs/dbraw/zinc/60/35/08/551603508.db2.gz DTVHQMBJSLZZTC-HLADLETHSA-N 0 0 529.681 4.902 50 30 KJEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000001074418 551603410 /nfs/dbraw/zinc/60/34/10/551603410.db2.gz DTVHQMBJSLZZTC-QABMSTFYSA-N 0 0 529.681 4.902 50 30 KJEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000001074427 551603425 /nfs/dbraw/zinc/60/34/25/551603425.db2.gz DTVHQMBJSLZZTC-NGQVCNFZSA-N 0 0 529.681 4.902 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000001074596 551603484 /nfs/dbraw/zinc/60/34/84/551603484.db2.gz IHNLWQHAPDVLCN-WZOHSFFVSA-N 0 0 507.608 4.619 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000001074804 551603903 /nfs/dbraw/zinc/60/39/03/551603903.db2.gz IUWKOHDYTQKQJZ-DUIWDDNPSA-N 0 0 571.718 4.673 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000001074832 551603895 /nfs/dbraw/zinc/60/38/95/551603895.db2.gz HYFXZYZHDVOXOP-OAHFHXNUSA-N 0 0 554.643 4.943 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Br)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000001079456 551605554 /nfs/dbraw/zinc/60/55/54/551605554.db2.gz UZINTPLLUADEFE-UHFFFAOYSA-N 0 0 550.866 4.549 50 30 KJEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000001082010 551605848 /nfs/dbraw/zinc/60/58/48/551605848.db2.gz GVABDHXDNRBRIA-RUZDIDTESA-N 0 0 520.538 4.680 50 30 KJEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000001082011 551605918 /nfs/dbraw/zinc/60/59/18/551605918.db2.gz GVABDHXDNRBRIA-VWLOTQADSA-N 0 0 520.538 4.680 50 30 KJEARN Cc1c([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cnn1C ZINC000001088162 551606602 /nfs/dbraw/zinc/60/66/02/551606602.db2.gz NEQHMJUZEIJLKU-IQGLISFBSA-N 0 0 532.442 4.886 50 30 KJEARN Cc1c([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cnn1C ZINC000001088163 551606648 /nfs/dbraw/zinc/60/66/48/551606648.db2.gz NEQHMJUZEIJLKU-CJAUYULYSA-N 0 0 532.442 4.886 50 30 KJEARN Cc1c([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cnn1C ZINC000001088164 551606630 /nfs/dbraw/zinc/60/66/30/551606630.db2.gz NEQHMJUZEIJLKU-AVRWGWEMSA-N 0 0 532.442 4.886 50 30 KJEARN Cc1c([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cnn1C ZINC000001088165 551606605 /nfs/dbraw/zinc/60/66/05/551606605.db2.gz NEQHMJUZEIJLKU-BVZFJXPGSA-N 0 0 532.442 4.886 50 30 KJEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001103554 551609166 /nfs/dbraw/zinc/60/91/66/551609166.db2.gz FCYCPYNCJYKWGI-NDEPHWFRSA-N 0 0 569.639 4.903 50 30 KJEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001103555 551609193 /nfs/dbraw/zinc/60/91/93/551609193.db2.gz FCYCPYNCJYKWGI-MUUNZHRXSA-N 0 0 569.639 4.903 50 30 KJEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(CN4CCOCC4)n3-c3ccccc3)sc2C1 ZINC000001105188 551609442 /nfs/dbraw/zinc/60/94/42/551609442.db2.gz NDBOLHYNVPYFPJ-LJQANCHMSA-N 0 0 550.754 4.914 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cc(Br)c(O)c(OC)c3)oc21 ZINC000001110463 551611045 /nfs/dbraw/zinc/61/10/45/551611045.db2.gz FVNHPCBKQTTXFH-QFIPXVFZSA-N 0 0 582.407 4.783 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cc(Br)c(O)c(OC)c3)oc21 ZINC000001110464 551611040 /nfs/dbraw/zinc/61/10/40/551611040.db2.gz FVNHPCBKQTTXFH-JOCHJYFZSA-N 0 0 582.407 4.783 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O ZINC000001121264 551613021 /nfs/dbraw/zinc/61/30/21/551613021.db2.gz DKJKXUPGKVKOMM-UHFFFAOYSA-N 0 0 504.366 4.547 50 30 KJEARN CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000001127013 551614269 /nfs/dbraw/zinc/61/42/69/551614269.db2.gz VRTDLKQAQXBSAL-DWXRJYCRSA-N 0 0 500.551 4.674 50 30 KJEARN CCOC(=O)[C@H](C)Oc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000001127015 551614267 /nfs/dbraw/zinc/61/42/67/551614267.db2.gz VRTDLKQAQXBSAL-QYBDOPJKSA-N 0 0 500.551 4.674 50 30 KJEARN CCOC(=O)[C@@H](C)Oc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000001127016 551614265 /nfs/dbraw/zinc/61/42/65/551614265.db2.gz VRTDLKQAQXBSAL-WXTAPIANSA-N 0 0 500.551 4.674 50 30 KJEARN CCOC(=O)[C@H](C)Oc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000001127018 551614262 /nfs/dbraw/zinc/61/42/62/551614262.db2.gz VRTDLKQAQXBSAL-HFJWLAOPSA-N 0 0 500.551 4.674 50 30 KJEARN COc1cc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000001129220 551615019 /nfs/dbraw/zinc/61/50/19/551615019.db2.gz CSKJWYGMGNZRQP-OAQYLSRUSA-N 0 0 507.974 4.505 50 30 KJEARN COc1cc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000001129222 551615038 /nfs/dbraw/zinc/61/50/38/551615038.db2.gz CSKJWYGMGNZRQP-NRFANRHFSA-N 0 0 507.974 4.505 50 30 KJEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000001129861 551615364 /nfs/dbraw/zinc/61/53/64/551615364.db2.gz DNNMMDCXYVRCBO-OAQYLSRUSA-N 0 0 501.352 4.909 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000001132201 551616008 /nfs/dbraw/zinc/61/60/08/551616008.db2.gz VZGMIIWVUDSPCS-NWLBTCKQSA-N 0 0 556.409 4.855 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000001140606 551616865 /nfs/dbraw/zinc/61/68/65/551616865.db2.gz GSCLEUZDFLWREP-XUSGNXJCSA-N 0 0 502.386 4.774 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000001140607 551616933 /nfs/dbraw/zinc/61/69/33/551616933.db2.gz GSCLEUZDFLWREP-GTJPDFRWSA-N 0 0 502.386 4.774 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000001140608 551616942 /nfs/dbraw/zinc/61/69/42/551616942.db2.gz GSCLEUZDFLWREP-LAJNKCICSA-N 0 0 502.386 4.774 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000001140609 551616882 /nfs/dbraw/zinc/61/68/82/551616882.db2.gz GSCLEUZDFLWREP-QKVFXAPYSA-N 0 0 502.386 4.774 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000001148603 551618727 /nfs/dbraw/zinc/61/87/27/551618727.db2.gz UWRDNQQRZKYJFK-OAQYLSRUSA-N 0 0 512.946 4.928 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000001148606 551618741 /nfs/dbraw/zinc/61/87/41/551618741.db2.gz UWRDNQQRZKYJFK-NRFANRHFSA-N 0 0 512.946 4.928 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000001153440 551619370 /nfs/dbraw/zinc/61/93/70/551619370.db2.gz GNVWNJBJPHZFHL-QFIPXVFZSA-N 0 0 539.382 4.648 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000001153441 551619412 /nfs/dbraw/zinc/61/94/12/551619412.db2.gz GNVWNJBJPHZFHL-JOCHJYFZSA-N 0 0 539.382 4.648 50 30 KJEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001221135 551628029 /nfs/dbraw/zinc/62/80/29/551628029.db2.gz LRVNTWKVTBZGAU-OPAMFIHVSA-N 0 0 504.421 4.784 50 30 biogenic KJEARN COc1ccc(Br)cc1[C@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001221136 551628009 /nfs/dbraw/zinc/62/80/09/551628009.db2.gz LRVNTWKVTBZGAU-ZHRRBRCNSA-N 0 0 504.421 4.784 50 30 biogenic KJEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001221137 551628021 /nfs/dbraw/zinc/62/80/21/551628021.db2.gz LRVNTWKVTBZGAU-KSFYIVLOSA-N 0 0 504.421 4.784 50 30 biogenic KJEARN COc1ccc(Br)cc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001221138 551628000 /nfs/dbraw/zinc/62/80/00/551628000.db2.gz LRVNTWKVTBZGAU-AOMKIAJQSA-N 0 0 504.421 4.784 50 30 biogenic KJEARN COc1ccc(C(=O)NC2=C(C(=O)c3ccccc3)N(Cc3ccccc3)S(=O)(=O)c3ccccc32)cc1OC ZINC000001274427 551635481 /nfs/dbraw/zinc/63/54/81/551635481.db2.gz GCHQKCDBYFVGAR-UHFFFAOYSA-N 0 0 554.624 4.890 50 30 KJEARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000001275301 551635440 /nfs/dbraw/zinc/63/54/40/551635440.db2.gz CDSGCMRIHZXVSV-HPQIJTKRSA-N 0 0 550.998 4.921 50 30 KJEARN COc1ccc(OCC(=O)NC2=C(C(=O)c3ccccc3)N(Cc3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000001278796 551636055 /nfs/dbraw/zinc/63/60/55/551636055.db2.gz JPBJWZKGADOWKR-UHFFFAOYSA-N 0 0 554.624 4.646 50 30 KJEARN CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@@H]1N(O)C(=O)NC1CCCCC1 ZINC000001305588 551638499 /nfs/dbraw/zinc/63/84/99/551638499.db2.gz HHXFEMQMZNHNNK-BTZNOAQDSA-N 0 0 501.472 4.661 50 30 KJEARN CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@H]1N(O)C(=O)NC1CCCCC1 ZINC000001305590 551639051 /nfs/dbraw/zinc/63/90/51/551639051.db2.gz HHXFEMQMZNHNNK-XYHOIZSOSA-N 0 0 501.472 4.661 50 30 KJEARN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000001311264 551639647 /nfs/dbraw/zinc/63/96/47/551639647.db2.gz RZBCFKXJEQWHAQ-KMFVSHEXSA-N 0 0 539.544 4.546 50 30 KJEARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000001317197 551640730 /nfs/dbraw/zinc/64/07/30/551640730.db2.gz INJJCBQCYWVAOD-CWTOASCOSA-N 0 0 567.985 4.935 50 30 KJEARN C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(C(F)(F)F)cc1 ZINC000001388375 551660663 /nfs/dbraw/zinc/66/06/63/551660663.db2.gz DQVXUTYPSLVEGL-UHFFFAOYSA-N 0 0 502.971 4.907 50 30 KJEARN C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(Br)cc1 ZINC000001388379 551660693 /nfs/dbraw/zinc/66/06/93/551660693.db2.gz GRTDRIBXPSQQSG-UHFFFAOYSA-N 0 0 513.870 4.651 50 30 KJEARN N#Cc1cc(-c2ccccc2)oc1N(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001389878 551660651 /nfs/dbraw/zinc/66/06/51/551660651.db2.gz VJWHPZPDXGTTQI-UHFFFAOYSA-N 0 0 500.504 4.681 50 30 KJEARN O=C(C1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000001390303 551661048 /nfs/dbraw/zinc/66/10/48/551661048.db2.gz BSFRNHWGAKYBGY-UHFFFAOYSA-N 0 0 567.395 4.644 50 30 KJEARN Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(C#N)cc2)c1S(=O)(=O)c1ccc(Br)cc1 ZINC000001392035 551661015 /nfs/dbraw/zinc/66/10/15/551661015.db2.gz TXNPNAZNEIBMEJ-UHFFFAOYSA-N 0 0 536.407 4.911 50 30 KJEARN CCOC(=O)c1c(-n2cc(C#N)c(=O)n(Cc3ccc(C)cc3)c2=O)c2ccccc2n1Cc1ccc(C)cc1 ZINC000001400598 551661270 /nfs/dbraw/zinc/66/12/70/551661270.db2.gz YZKIASMRQQCVKO-UHFFFAOYSA-N 0 0 532.600 4.716 50 30 KJEARN C=CCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2cccc3ccccc32)c2ccccc2S1(=O)=O ZINC000001405749 551661865 /nfs/dbraw/zinc/66/18/65/551661865.db2.gz HNPBRGNVDFTIJX-UHFFFAOYSA-N 0 0 524.598 4.777 50 30 KJEARN CCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2cccc3ccccc32)c2ccccc2S1(=O)=O ZINC000001405750 551661945 /nfs/dbraw/zinc/66/19/45/551661945.db2.gz BJMXXDKJNYEBKB-UHFFFAOYSA-N 0 0 512.587 4.611 50 30 KJEARN Cc1ccc(OCC(=O)NC2=C(C(=O)c3ccccc3)N(Cc3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000001405753 551661837 /nfs/dbraw/zinc/66/18/37/551661837.db2.gz DDSCXVDYXIFJLI-UHFFFAOYSA-N 0 0 538.625 4.946 50 30 KJEARN O=C(OC1=C(C(=O)c2ccccc2)N(C(=O)c2ccccc2)S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000001405776 551661927 /nfs/dbraw/zinc/66/19/27/551661927.db2.gz RIDUWEINVXHEDV-UHFFFAOYSA-N 0 0 509.539 4.940 50 30 KJEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccnc2)cc1OC ZINC000001413293 551665171 /nfs/dbraw/zinc/66/51/71/551665171.db2.gz DJTHVPYCIYMAOJ-QHCPKHFHSA-N 0 0 523.383 4.682 50 30 KJEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccnc2)cc1OC ZINC000001413294 551665134 /nfs/dbraw/zinc/66/51/34/551665134.db2.gz DJTHVPYCIYMAOJ-HSZRJFAPSA-N 0 0 523.383 4.682 50 30 KJEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000001413311 551665110 /nfs/dbraw/zinc/66/51/10/551665110.db2.gz ROONFSAGPSWULU-SANMLTNESA-N 0 0 503.551 4.542 50 30 KJEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001413312 551665181 /nfs/dbraw/zinc/66/51/81/551665181.db2.gz ROONFSAGPSWULU-AREMUKBSSA-N 0 0 503.551 4.542 50 30 KJEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2cccc(OC)c2)cc1 ZINC000001413313 551665226 /nfs/dbraw/zinc/66/52/26/551665226.db2.gz KSWAAEVBQOUIJY-SANMLTNESA-N 0 0 503.551 4.542 50 30 KJEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000001413314 551665188 /nfs/dbraw/zinc/66/51/88/551665188.db2.gz KSWAAEVBQOUIJY-AREMUKBSSA-N 0 0 503.551 4.542 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001413329 551665142 /nfs/dbraw/zinc/66/51/42/551665142.db2.gz DAXVLLOEAOHABA-SANMLTNESA-N 0 0 503.551 4.542 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001413330 551665150 /nfs/dbraw/zinc/66/51/50/551665150.db2.gz DAXVLLOEAOHABA-AREMUKBSSA-N 0 0 503.551 4.542 50 30 KJEARN Cc1ccc(C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000001414798 551666530 /nfs/dbraw/zinc/66/65/30/551666530.db2.gz LNDMSKKLFDHWCB-BLCKFSMSSA-N 0 0 522.605 4.754 50 30 KJEARN CCOc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N(CC)CC)c(Cl)cc2Cl)cc1OCC ZINC000001421117 551668333 /nfs/dbraw/zinc/66/83/33/551668333.db2.gz LUUJLACGOUOULW-UHFFFAOYSA-N 0 0 514.431 4.945 50 30 KJEARN CCOc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)cc1OCC ZINC000001421120 551668350 /nfs/dbraw/zinc/66/83/50/551668350.db2.gz SDYZOMGUPLFOGK-UHFFFAOYSA-N 0 0 512.415 4.699 50 30 KJEARN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001421892 551668588 /nfs/dbraw/zinc/66/85/88/551668588.db2.gz PTBJKMYGZGXNBI-DCEDVJGZSA-N 0 0 544.554 4.712 50 30 KJEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001422402 551668575 /nfs/dbraw/zinc/66/85/75/551668575.db2.gz MOQVADOVDSQPPX-QLBJFCOMSA-N 0 0 526.564 4.573 50 30 KJEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001422403 551668565 /nfs/dbraw/zinc/66/85/65/551668565.db2.gz WKRWKHPPMGDBCF-IEZKXTBUSA-N 0 0 526.564 4.573 50 30 KJEARN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001422404 551668591 /nfs/dbraw/zinc/66/85/91/551668591.db2.gz CDGATFOVDDZBPE-BTZRARBUSA-N 0 0 544.554 4.712 50 30 KJEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001422405 551668518 /nfs/dbraw/zinc/66/85/18/551668518.db2.gz FRHZHFPBLPGINC-IEZKXTBUSA-N 0 0 544.554 4.712 50 30 KJEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001422406 551668578 /nfs/dbraw/zinc/66/85/78/551668578.db2.gz URZFWLJSHIHEOM-IEZKXTBUSA-N 0 0 544.554 4.712 50 30 KJEARN COC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001422408 551668601 /nfs/dbraw/zinc/66/86/01/551668601.db2.gz UHYGBMUGGGGZKM-OUIFVKKZSA-N 0 0 592.570 4.860 50 30 KJEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)c(OC)c2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001422758 551668803 /nfs/dbraw/zinc/66/88/03/551668803.db2.gz HIYTUUIHZPPPLD-VWMXVWASSA-N 0 0 539.650 4.956 50 30 KJEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000001422879 551668768 /nfs/dbraw/zinc/66/87/68/551668768.db2.gz ZHIKKBHJHWLPKW-ZFJSRUIDSA-N 0 0 532.593 4.634 50 30 KJEARN C=CCn1c2ccccc2c2nnc(SCC3=C(C(=O)OCC)[C@H](c4cc(C)ccc4C)NC(=O)N3)nc21 ZINC000001422892 551668780 /nfs/dbraw/zinc/66/87/80/551668780.db2.gz IQHNRGUPCRHUDD-QHCPKHFHSA-N 0 0 528.638 4.746 50 30 KJEARN C=CCn1c2ccccc2c2nnc(SCC3=C(C(=O)OCC)[C@@H](c4cc(C)ccc4C)NC(=O)N3)nc21 ZINC000001422893 551668764 /nfs/dbraw/zinc/66/87/64/551668764.db2.gz IQHNRGUPCRHUDD-HSZRJFAPSA-N 0 0 528.638 4.746 50 30 KJEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001423006 551668791 /nfs/dbraw/zinc/66/87/91/551668791.db2.gz LACOWOPSHRCENE-VWMXVWASSA-N 0 0 537.634 4.971 50 30 KJEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001423035 551668813 /nfs/dbraw/zinc/66/88/13/551668813.db2.gz LWZZVZKWLHTMEE-SKBVVQJISA-N 0 0 556.590 4.581 50 30 KJEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000001423121 551669065 /nfs/dbraw/zinc/66/90/65/551669065.db2.gz HGUFONWUDPCBMY-ZSQFBXSQSA-N 0 0 574.580 4.720 50 30 KJEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](c2cccs2)C3)cc1 ZINC000001424294 551669012 /nfs/dbraw/zinc/66/90/12/551669012.db2.gz RCBZZVRCAVLPNA-WUMKDDEVSA-N 0 0 508.640 4.528 50 30 KJEARN COCc1cc(C)nc(SCC(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)Cl)cc32)c1C#N ZINC000001425191 551669326 /nfs/dbraw/zinc/66/93/26/551669326.db2.gz SJXIJYAGBWHDNE-UHFFFAOYSA-N 0 0 508.978 4.817 50 30 KJEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000001426845 551669378 /nfs/dbraw/zinc/66/93/78/551669378.db2.gz NHHJQWSBYPECPF-AGILITTLSA-N 0 0 543.645 4.670 50 30 KJEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccs1 ZINC000001426855 551669420 /nfs/dbraw/zinc/66/94/20/551669420.db2.gz BUDLOSMADGGPHA-QUURXOELSA-N 0 0 562.619 4.643 50 30 KJEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000001426958 551669468 /nfs/dbraw/zinc/66/94/68/551669468.db2.gz YIVMRIZADFHHHX-AGILITTLSA-N 0 0 561.635 4.809 50 30 KJEARN COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000001427192 551669473 /nfs/dbraw/zinc/66/94/73/551669473.db2.gz UGEFJEZXFRZTQH-HSZRJFAPSA-N 0 0 520.607 4.749 50 30 KJEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccsc1 ZINC000001427542 551669731 /nfs/dbraw/zinc/66/97/31/551669731.db2.gz OFSDVRCUTGJGQG-YMPZKCBVSA-N 0 0 532.593 4.634 50 30 KJEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccsc1 ZINC000001427543 551669664 /nfs/dbraw/zinc/66/96/64/551669664.db2.gz HUIQBJDTHSNBHC-GMKZXUHWSA-N 0 0 562.619 4.643 50 30 KJEARN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000001429377 551669685 /nfs/dbraw/zinc/66/96/85/551669685.db2.gz CYAOFIASOHSVFH-YJGRUCBDSA-N 0 0 532.593 4.634 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1coc2ccc(Cl)cc2c1=O ZINC000001434766 551670978 /nfs/dbraw/zinc/67/09/78/551670978.db2.gz OCCUJEQOXFARHJ-PUAOIOHZSA-N 0 0 505.954 4.990 50 30 KJEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1coc2ccc(Cl)cc2c1=O ZINC000001434767 551671066 /nfs/dbraw/zinc/67/10/66/551671066.db2.gz 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RYWFNMJDJCKPSI-UHFFFAOYSA-N 0 0 534.634 4.880 50 30 KJEARN CCCCCCNC(=O)c1c(N)n(/N=C/c2cc(Br)ccc2O)c2nc3ccccc3nc21 ZINC000002249559 551801118 /nfs/dbraw/zinc/80/11/18/551801118.db2.gz XCWKMZFXAFXVKF-CCVNUDIWSA-N 0 0 509.408 4.827 50 30 KJEARN COc1ccc(CCNC(=O)c2c(N)n(/N=C/c3cccc(Br)c3)c3nc4ccccc4nc32)cc1 ZINC000002249832 551801308 /nfs/dbraw/zinc/80/13/08/551801308.db2.gz ZMFPTLLALATCMT-WCMJOSRZSA-N 0 0 543.425 4.793 50 30 KJEARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccc(Br)c1 ZINC000002250136 551801266 /nfs/dbraw/zinc/80/12/66/551801266.db2.gz DOUXTPCCMHXXJO-OKCVXOCRSA-N 0 0 513.399 4.784 50 30 KJEARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1/N=C/c1cccc(Br)c1 ZINC000002252992 551801931 /nfs/dbraw/zinc/80/19/31/551801931.db2.gz MVLUDAYDIFWONA-AMVVHIIESA-N 0 0 517.362 4.881 50 30 KJEARN CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000002253492 551801944 /nfs/dbraw/zinc/80/19/44/551801944.db2.gz NFWWOARJCDTGAN-KQWNVCNZSA-N 0 0 506.697 4.636 50 30 KJEARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1/N=C/c1cc(Br)ccc1O ZINC000002254345 551802488 /nfs/dbraw/zinc/80/24/88/551802488.db2.gz QSBFLFUOAUFFPK-VVEOGCPPSA-N 0 0 533.361 4.586 50 30 KJEARN COc1ccc(CNC(=O)c2c(N)n(/N=C/c3cccc(Br)c3)c3nc4ccccc4nc32)cc1 ZINC000002257196 551803060 /nfs/dbraw/zinc/80/30/60/551803060.db2.gz RUDRFCMXYZXQPN-FJEPWZHXSA-N 0 0 529.398 4.750 50 30 KJEARN Cc1nc(N=C(NC(=O)COc2ccc(Cl)cc2)NC(=O)COc2ccc(Cl)cc2)nc2ccccc12 ZINC000002260344 552083750 /nfs/dbraw/zinc/08/37/50/552083750.db2.gz MEMRZEXJUKHBND-UHFFFAOYSA-N 0 0 538.391 4.623 50 30 KJEARN N#C[C@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002261463 552084422 /nfs/dbraw/zinc/08/44/22/552084422.db2.gz XNQMCEWJKBWMTK-DEOSSOPVSA-N 0 0 511.029 4.576 50 30 KJEARN N#C[C@@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002261464 552084375 /nfs/dbraw/zinc/08/43/75/552084375.db2.gz XNQMCEWJKBWMTK-XMMPIXPASA-N 0 0 511.029 4.576 50 30 KJEARN CC1(C)CC2=C(C(=O)C1)[C@@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2C1CCCCC1 ZINC000002264303 551804356 /nfs/dbraw/zinc/80/43/56/551804356.db2.gz GUPYPJJFNCPJPI-QFIPXVFZSA-N 0 0 518.985 4.738 50 30 KJEARN CC1(C)CC2=C(C(=O)C1)[C@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2C1CCCCC1 ZINC000002264304 551804340 /nfs/dbraw/zinc/80/43/40/551804340.db2.gz GUPYPJJFNCPJPI-JOCHJYFZSA-N 0 0 518.985 4.738 50 30 KJEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccccc2OC)c2ccccc2S1(=O)=O ZINC000002264832 551804353 /nfs/dbraw/zinc/80/43/53/551804353.db2.gz HMNSUVRNMIPOIA-UHFFFAOYSA-N 0 0 504.608 4.871 50 30 KJEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccccc2OC(C)=O)c2ccccc2S1(=O)=O ZINC000002264889 551804519 /nfs/dbraw/zinc/80/45/19/551804519.db2.gz HZTPFPGXQKKGRH-UHFFFAOYSA-N 0 0 532.618 4.788 50 30 KJEARN COC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000002272522 551805333 /nfs/dbraw/zinc/80/53/33/551805333.db2.gz APDXFMDWLBPKTM-GOSISDBHSA-N 0 0 546.386 4.889 50 30 KJEARN COC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000002272523 551805311 /nfs/dbraw/zinc/80/53/11/551805311.db2.gz APDXFMDWLBPKTM-SFHVURJKSA-N 0 0 546.386 4.889 50 30 KJEARN C#CCOC(=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1Br ZINC000002273145 551805329 /nfs/dbraw/zinc/80/53/29/551805329.db2.gz GAVHNVOEKPQQEY-UHFFFAOYSA-N 0 0 516.967 4.983 50 30 in-vitro KJEARN CCOP(=O)(OCC)[C@@]1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21 ZINC000002274961 552086454 /nfs/dbraw/zinc/08/64/54/552086454.db2.gz VWTVRHAEVXUNGT-FQEVSTJZSA-N 0 0 514.334 4.559 50 30 KJEARN CCOP(=O)(OCC)[C@]1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21 ZINC000002274962 552086397 /nfs/dbraw/zinc/08/63/97/552086397.db2.gz VWTVRHAEVXUNGT-HXUWFJFHSA-N 0 0 514.334 4.559 50 30 KJEARN O=c1c(C=[NH+]CCCN2CCOCC2)c(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000002282760 552087305 /nfs/dbraw/zinc/08/73/05/552087305.db2.gz WMAWKSTVIDEBCL-JVWAILMASA-N 0 0 528.103 4.862 50 30 KJEARN Cc1c(/N=C/c2cc(C)cc(/C=N/c3c(C)n(-c4ccccc4)n(C)c3=O)c2O)c(=O)n(C)n1-c1ccccc1 ZINC000002289218 551807301 /nfs/dbraw/zinc/80/73/01/551807301.db2.gz SLLQPLLZSKJZTM-XYHIKERESA-N 0 0 534.620 4.797 50 30 KJEARN O=C(COc1ccc(Cl)cc1)NC(=Nc1nc2ccccc2o1)NC(=O)COc1ccc(Cl)cc1 ZINC000002318117 552093298 /nfs/dbraw/zinc/09/32/98/552093298.db2.gz ICTWLGQTGPOTHH-UHFFFAOYSA-N 0 0 513.337 4.513 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000002323019 552094649 /nfs/dbraw/zinc/09/46/49/552094649.db2.gz QTNAKPVUKBYUDO-UQQQWYQISA-N 0 0 521.577 4.922 50 30 KJEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000002323567 552094638 /nfs/dbraw/zinc/09/46/38/552094638.db2.gz WDHSKNAHEQWZOJ-LWUPDDLQSA-N 0 0 518.038 4.592 50 30 KJEARN COc1ccc(/C=N/n2c(C)nc3c4cc(Cl)ccc4[nH]c3c2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000002330441 551809347 /nfs/dbraw/zinc/80/93/47/551809347.db2.gz GZAPAOCLOBDHNQ-VVEOGCPPSA-N 0 0 525.952 4.527 50 30 KJEARN 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ZINC000002434838 552118518 /nfs/dbraw/zinc/11/85/18/552118518.db2.gz QGZAIBQGMZAPPV-RUZDIDTESA-N 0 0 526.593 4.908 50 30 KJEARN COc1ccc(Cc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000002434839 552118602 /nfs/dbraw/zinc/11/86/02/552118602.db2.gz QGZAIBQGMZAPPV-VWLOTQADSA-N 0 0 526.593 4.908 50 30 KJEARN Cc1ccc(N2C(=O)[C@](NS(=O)(=O)c3ccccc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002436236 552118759 /nfs/dbraw/zinc/11/87/59/552118759.db2.gz CNCCBRSHGITCHR-DEOSSOPVSA-N 0 0 506.546 4.573 50 30 KJEARN Cc1ccc(N2C(=O)[C@@](NS(=O)(=O)c3ccccc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002436237 552118712 /nfs/dbraw/zinc/11/87/12/552118712.db2.gz CNCCBRSHGITCHR-XMMPIXPASA-N 0 0 506.546 4.573 50 30 KJEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002440012 552119532 /nfs/dbraw/zinc/11/95/32/552119532.db2.gz WVXNNAAFTOVFKV-SANMLTNESA-N 0 0 522.564 4.800 50 30 KJEARN 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0 512.606 4.530 50 30 KJEARN COc1ccc(NC(=S)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 ZINC000002506508 552124945 /nfs/dbraw/zinc/12/49/45/552124945.db2.gz ASDNIKAWTGQHLN-ZVHZXABRSA-N 0 0 531.375 4.840 50 30 KJEARN Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002520225 552127117 /nfs/dbraw/zinc/12/71/17/552127117.db2.gz YMMZEPVHQZPVSB-ZMOGYAJESA-N 0 0 507.793 4.943 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 ZINC000002520561 552127140 /nfs/dbraw/zinc/12/71/40/552127140.db2.gz OTGKZERZQIIWOW-KOEQRZSOSA-N 0 0 527.650 4.580 50 30 KJEARN COc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 ZINC000002521189 552127375 /nfs/dbraw/zinc/12/73/75/552127375.db2.gz NWLGEMXVZZLIFP-ZMOGYAJESA-N 0 0 523.792 4.643 50 30 KJEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002525766 552127262 /nfs/dbraw/zinc/12/72/62/552127262.db2.gz AUPIAASLCWDXDK-UHFFFAOYSA-N 0 0 570.476 4.955 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 ZINC000002531236 552127613 /nfs/dbraw/zinc/12/76/13/552127613.db2.gz KBFVHAITRXADDZ-VUTHCHCSSA-N 0 0 514.559 4.746 50 30 KJEARN CCCOc1ccc(C(=O)Oc2ccc(/C=N/NS(=O)(=O)c3ccc(Cl)cc3)cc2OC)cc1 ZINC000002531409 552127595 /nfs/dbraw/zinc/12/75/95/552127595.db2.gz YTMSDZYRWROLTL-WGOQTCKBSA-N 0 0 502.976 4.669 50 30 KJEARN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)NC2CCCCC2)cc1OC ZINC000002531468 552127631 /nfs/dbraw/zinc/12/76/31/552127631.db2.gz WBEKLYZCXSHWDB-AFUMVMLFSA-N 0 0 520.449 4.816 50 30 KJEARN CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002531796 552127623 /nfs/dbraw/zinc/12/76/23/552127623.db2.gz ZETIVCIXNQOULS-MFKUBSTISA-N 0 0 517.401 4.688 50 30 KJEARN CCOc1ccc(C(=O)Oc2ccc(/C=N/NS(=O)(=O)c3ccc(Cl)cc3)cc2OCC)cc1 ZINC000002531814 552127589 /nfs/dbraw/zinc/12/75/89/552127589.db2.gz MYJPVOBESUYUCE-WGOQTCKBSA-N 0 0 502.976 4.669 50 30 KJEARN Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002532244 552127633 /nfs/dbraw/zinc/12/76/33/552127633.db2.gz BNTISVSDYKSKMN-ZMOGYAJESA-N 0 0 507.793 4.943 50 30 KJEARN CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000002542499 552128395 /nfs/dbraw/zinc/12/83/95/552128395.db2.gz ZVYYPXLBYZGXHL-PCLIKHOPSA-N 0 0 517.401 4.770 50 30 KJEARN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002543911 552128650 /nfs/dbraw/zinc/12/86/50/552128650.db2.gz RCAMVRQMCOJIMW-ZMOGYAJESA-N 0 0 523.792 4.643 50 30 KJEARN CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 ZINC000002573660 552130362 /nfs/dbraw/zinc/13/03/62/552130362.db2.gz NKXYAJFIPLIXFA-LJQANCHMSA-N 0 0 518.389 4.763 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000002584950 552131167 /nfs/dbraw/zinc/13/11/67/552131167.db2.gz FSHMAUZJBHWJFE-ZMOGYAJESA-N 0 0 507.793 4.943 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 ZINC000002584962 552131174 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ZINC000002605561 552136034 /nfs/dbraw/zinc/13/60/34/552136034.db2.gz RHRZUGMEDDQOFO-LJAQVGFWSA-N 0 0 574.596 4.748 50 30 KJEARN COc1ccc(CCC(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3cccc(OC)c3OC)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002605562 552135999 /nfs/dbraw/zinc/13/59/99/552135999.db2.gz RHRZUGMEDDQOFO-GDLZYMKVSA-N 0 0 574.596 4.748 50 30 KJEARN C=CCn1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O ZINC000002616795 552137098 /nfs/dbraw/zinc/13/70/98/552137098.db2.gz SQHZDLDRIMPJDR-INIZCTEOSA-N 0 0 505.621 4.837 50 30 aggregator KJEARN C=CCn1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O ZINC000002616796 552137043 /nfs/dbraw/zinc/13/70/43/552137043.db2.gz SQHZDLDRIMPJDR-MRXNPFEDSA-N 0 0 505.621 4.837 50 30 aggregator KJEARN C=CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000002627954 552139191 /nfs/dbraw/zinc/13/91/91/552139191.db2.gz NMONDBWAYKAVDC-UHFFFAOYSA-N 0 0 503.605 4.925 50 30 KJEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cc(C(=O)OC)c(C)o2)c1 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ZINC000002762289 552182988 /nfs/dbraw/zinc/18/29/88/552182988.db2.gz XHDSCQSDCFGKAK-UHFFFAOYSA-N 0 0 520.541 4.792 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000002768213 552183749 /nfs/dbraw/zinc/18/37/49/552183749.db2.gz YDMPRLWDURZNJF-JOCHJYFZSA-N 0 0 528.399 4.891 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000002768214 552183748 /nfs/dbraw/zinc/18/37/48/552183748.db2.gz YDMPRLWDURZNJF-QFIPXVFZSA-N 0 0 528.399 4.891 50 30 KJEARN COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc(I)c1OC ZINC000002772283 552185490 /nfs/dbraw/zinc/18/54/90/552185490.db2.gz UZLUMUGSKJKKOI-QFIPXVFZSA-N 0 0 540.357 4.957 50 30 KJEARN COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc(I)c1OC ZINC000002772284 552185512 /nfs/dbraw/zinc/18/55/12/552185512.db2.gz UZLUMUGSKJKKOI-JOCHJYFZSA-N 0 0 540.357 4.957 50 30 KJEARN COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000002774592 552186202 /nfs/dbraw/zinc/18/62/02/552186202.db2.gz JOVFDWUVGDJSKV-DFHRPNOPSA-N 0 0 503.595 4.964 50 30 biogenic KJEARN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)sc2C1 ZINC000002774682 552186220 /nfs/dbraw/zinc/18/62/20/552186220.db2.gz KUFSTKWDPCYYDF-ZDUSSCGKSA-N 0 0 514.474 4.879 50 30 KJEARN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)sc2C1 ZINC000002774683 552186198 /nfs/dbraw/zinc/18/61/98/552186198.db2.gz KUFSTKWDPCYYDF-CYBMUJFWSA-N 0 0 514.474 4.879 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000002774754 552186476 /nfs/dbraw/zinc/18/64/76/552186476.db2.gz QWPNVYHKUXBJBE-OAQYLSRUSA-N 0 0 522.436 4.736 50 30 KJEARN COc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000002774755 552186523 /nfs/dbraw/zinc/18/65/23/552186523.db2.gz QWPNVYHKUXBJBE-NRFANRHFSA-N 0 0 522.436 4.736 50 30 KJEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000002775470 552186642 /nfs/dbraw/zinc/18/66/42/552186642.db2.gz ULKHVATVDQTYRV-JOCHJYFZSA-N 0 0 501.938 4.921 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002775872 552186980 /nfs/dbraw/zinc/18/69/80/552186980.db2.gz KUQJBCUGJYPJOA-FNZWTVRRSA-N 0 0 506.555 4.545 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002775873 552186966 /nfs/dbraw/zinc/18/69/66/552186966.db2.gz KUQJBCUGJYPJOA-RXFWQSSRSA-N 0 0 506.555 4.545 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002775874 552187012 /nfs/dbraw/zinc/18/70/12/552187012.db2.gz KUQJBCUGJYPJOA-IBVKSMDESA-N 0 0 506.555 4.545 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002775875 552186991 /nfs/dbraw/zinc/18/69/91/552186991.db2.gz KUQJBCUGJYPJOA-FQRUVTKNSA-N 0 0 506.555 4.545 50 30 KJEARN COc1cc(OC)c([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002776181 552187163 /nfs/dbraw/zinc/18/71/63/552187163.db2.gz UXHMBCOBHVECBN-HHHXNRCGSA-N 0 0 521.610 4.939 50 30 KJEARN COc1cc(OC)c([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002776182 552187152 /nfs/dbraw/zinc/18/71/52/552187152.db2.gz UXHMBCOBHVECBN-MHZLTWQESA-N 0 0 521.610 4.939 50 30 KJEARN O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1cnn2c1nc(C1CC1)cc2C(F)(F)F ZINC000002781642 552188396 /nfs/dbraw/zinc/18/83/96/552188396.db2.gz YPSFSSUAUCPSSR-UHFFFAOYSA-N 0 0 516.352 4.818 50 30 KJEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)c(C#N)c1C ZINC000002782348 552188703 /nfs/dbraw/zinc/18/87/03/552188703.db2.gz NHTOFBGPQGHPGZ-UHFFFAOYSA-N 0 0 518.437 4.880 50 30 KJEARN Cc1c(C#N)c(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)sc1C(=O)OC(C)C ZINC000002782520 552188710 /nfs/dbraw/zinc/18/87/10/552188710.db2.gz WEAANAZNQRELSV-SNVBAGLBSA-N 0 0 507.332 4.979 50 30 KJEARN Cc1c(C#N)c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)sc1C(=O)OC(C)C ZINC000002782521 552188730 /nfs/dbraw/zinc/18/87/30/552188730.db2.gz WEAANAZNQRELSV-JTQLQIEISA-N 0 0 507.332 4.979 50 30 KJEARN CCOc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCC4)nnc2-c2cc(C)nn2C)cc1 ZINC000002783953 552189196 /nfs/dbraw/zinc/18/91/96/552189196.db2.gz MJVLLHVAMGPJDZ-UHFFFAOYSA-N 0 0 519.656 4.528 50 30 KJEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000002784377 552189505 /nfs/dbraw/zinc/18/95/05/552189505.db2.gz DPWHVZASUOGWJZ-NFQMXDRXSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000002784378 552189511 /nfs/dbraw/zinc/18/95/11/552189511.db2.gz DPWHVZASUOGWJZ-HRFSGMKKSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000002784379 552189499 /nfs/dbraw/zinc/18/94/99/552189499.db2.gz DPWHVZASUOGWJZ-CCLHPLFOSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000002784380 552189487 /nfs/dbraw/zinc/18/94/87/552189487.db2.gz DPWHVZASUOGWJZ-DCFHFQCYSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002788564 552190962 /nfs/dbraw/zinc/19/09/62/552190962.db2.gz PZUJXRDGNLXNJL-NFQMXDRXSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002788565 552190928 /nfs/dbraw/zinc/19/09/28/552190928.db2.gz PZUJXRDGNLXNJL-HRFSGMKKSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002788566 552190983 /nfs/dbraw/zinc/19/09/83/552190983.db2.gz PZUJXRDGNLXNJL-CCLHPLFOSA-N 0 0 520.582 4.933 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002788567 552191130 /nfs/dbraw/zinc/19/11/30/552191130.db2.gz PZUJXRDGNLXNJL-DCFHFQCYSA-N 0 0 520.582 4.933 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000002788676 552191173 /nfs/dbraw/zinc/19/11/73/552191173.db2.gz GTXXERIBCGAQDP-WGDIFIGCSA-N 0 0 519.981 4.998 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccccc2c1=O ZINC000002788677 552191144 /nfs/dbraw/zinc/19/11/44/552191144.db2.gz GTXXERIBCGAQDP-QUGAMOGWSA-N 0 0 519.981 4.998 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000002788678 552191126 /nfs/dbraw/zinc/19/11/26/552191126.db2.gz GTXXERIBCGAQDP-MRDQGFSESA-N 0 0 519.981 4.998 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccccc2c1=O ZINC000002788679 552191156 /nfs/dbraw/zinc/19/11/56/552191156.db2.gz GTXXERIBCGAQDP-QLXKLKPCSA-N 0 0 519.981 4.998 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002792880 552191906 /nfs/dbraw/zinc/19/19/06/552191906.db2.gz WILOHEYZGJXASM-FNZWTVRRSA-N 0 0 506.555 4.545 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002792881 552191918 /nfs/dbraw/zinc/19/19/18/552191918.db2.gz WILOHEYZGJXASM-RXFWQSSRSA-N 0 0 506.555 4.545 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000002792924 552191932 /nfs/dbraw/zinc/19/19/32/552191932.db2.gz OEKMISGXZVMBOC-NRFANRHFSA-N 0 0 514.372 4.501 50 30 KJEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000002792925 552192117 /nfs/dbraw/zinc/19/21/17/552192117.db2.gz OEKMISGXZVMBOC-OAQYLSRUSA-N 0 0 514.372 4.501 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002806038 552195884 /nfs/dbraw/zinc/19/58/84/552195884.db2.gz VLXULTRNCVPXGY-IQGLISFBSA-N 0 0 512.002 4.908 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002806039 552195899 /nfs/dbraw/zinc/19/58/99/552195899.db2.gz VLXULTRNCVPXGY-CJAUYULYSA-N 0 0 512.002 4.908 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002806040 552195869 /nfs/dbraw/zinc/19/58/69/552195869.db2.gz VLXULTRNCVPXGY-AVRWGWEMSA-N 0 0 512.002 4.908 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002806041 552195890 /nfs/dbraw/zinc/19/58/90/552195890.db2.gz VLXULTRNCVPXGY-BVZFJXPGSA-N 0 0 512.002 4.908 50 30 KJEARN Cc1nnc(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSc4nnc(C)s4)c(C#N)c3)cc2C#N)s1 ZINC000002806530 552196149 /nfs/dbraw/zinc/19/61/49/552196149.db2.gz YVMCELJXUXMSEB-UHFFFAOYSA-N 0 0 592.757 4.802 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000002820228 552197176 /nfs/dbraw/zinc/19/71/76/552197176.db2.gz SYSQDCXRTHUHHF-RUZDIDTESA-N 0 0 507.583 4.636 50 30 biogenic,in-vitro KJEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000002820229 552197141 /nfs/dbraw/zinc/19/71/41/552197141.db2.gz SYSQDCXRTHUHHF-VWLOTQADSA-N 0 0 507.583 4.636 50 30 biogenic,in-vitro KJEARN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000002837866 552198034 /nfs/dbraw/zinc/19/80/34/552198034.db2.gz FAYBSOQUTJQHQX-UHFFFAOYSA-N 0 0 518.422 4.743 50 30 KJEARN Cc1cc(C)nc(N=C(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000002841543 552199134 /nfs/dbraw/zinc/19/91/34/552199134.db2.gz KRJCAEGTKWPYPW-FBLLAGFSSA-N 0 0 577.060 4.888 50 30 KJEARN C=CCOc1c(I)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC ZINC000002844747 552200395 /nfs/dbraw/zinc/20/03/95/552200395.db2.gz UAXKNKHHUZAVAD-PXNMLYILSA-N 0 0 540.697 4.771 50 30 KJEARN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000002849382 552200649 /nfs/dbraw/zinc/20/06/49/552200649.db2.gz CNTVVPLWKQRSBK-UHFFFAOYSA-N 0 0 509.376 4.835 50 30 KJEARN C=CCOc1c(I)cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC ZINC000002850167 552201008 /nfs/dbraw/zinc/20/10/08/552201008.db2.gz VGDMHYZQYBWKGR-PXNMLYILSA-N 0 0 540.697 4.771 50 30 KJEARN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000002851270 552201083 /nfs/dbraw/zinc/20/10/83/552201083.db2.gz FZOJVJWPSCDLGN-UHFFFAOYSA-N 0 0 528.476 4.813 50 30 KJEARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000002852314 552201404 /nfs/dbraw/zinc/20/14/04/552201404.db2.gz RWCDXNPPNXFNPL-UHFFFAOYSA-N 0 0 517.448 4.929 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000002852975 552201734 /nfs/dbraw/zinc/20/17/34/552201734.db2.gz PEPCPEFTKYPXFS-OAHLLOKOSA-N 0 0 514.995 4.556 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000002852976 552201727 /nfs/dbraw/zinc/20/17/27/552201727.db2.gz PEPCPEFTKYPXFS-HNNXBMFYSA-N 0 0 514.995 4.556 50 30 KJEARN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000002853418 552201762 /nfs/dbraw/zinc/20/17/62/552201762.db2.gz QWDNLSZYUVGMHA-UHFFFAOYSA-N 0 0 528.476 4.813 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002853929 552201926 /nfs/dbraw/zinc/20/19/26/552201926.db2.gz OMUSWQQBFHSSOL-MRXNPFEDSA-N 0 0 561.449 4.599 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000002853930 552201833 /nfs/dbraw/zinc/20/18/33/552201833.db2.gz OMUSWQQBFHSSOL-INIZCTEOSA-N 0 0 561.449 4.599 50 30 KJEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000002856079 552202412 /nfs/dbraw/zinc/20/24/12/552202412.db2.gz KVZGMUSEUSECKG-UHFFFAOYSA-N 0 0 520.396 4.687 50 30 KJEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000002856949 552202416 /nfs/dbraw/zinc/20/24/16/552202416.db2.gz NXXAEJCVHSNEDV-NRFANRHFSA-N 0 0 506.657 4.932 50 30 KJEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000002856950 552202399 /nfs/dbraw/zinc/20/23/99/552202399.db2.gz NXXAEJCVHSNEDV-OAQYLSRUSA-N 0 0 506.657 4.932 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1-c1cc(Br)ccc1O ZINC000002856966 552202521 /nfs/dbraw/zinc/20/25/21/552202521.db2.gz WVKFVERPAZFPKK-UHFFFAOYSA-N 0 0 537.823 4.770 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1cc(Br)ccc1O ZINC000002859204 552203167 /nfs/dbraw/zinc/20/31/67/552203167.db2.gz ALKKRDYETNNEKY-UHFFFAOYSA-N 0 0 517.405 4.507 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000002859231 552203187 /nfs/dbraw/zinc/20/31/87/552203187.db2.gz UASCRUYKNGFNON-UHFFFAOYSA-N 0 0 504.443 4.783 50 30 KJEARN C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000002859434 552203392 /nfs/dbraw/zinc/20/33/92/552203392.db2.gz DGUVNFCCNIDWAN-SANMLTNESA-N 0 0 515.493 4.980 50 30 KJEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000002859435 552203380 /nfs/dbraw/zinc/20/33/80/552203380.db2.gz DGUVNFCCNIDWAN-AREMUKBSSA-N 0 0 515.493 4.980 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000002859441 552203403 /nfs/dbraw/zinc/20/34/03/552203403.db2.gz QAQSFBDXVCUZQN-UHFFFAOYSA-N 0 0 544.475 4.513 50 30 KJEARN Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002859457 552203411 /nfs/dbraw/zinc/20/34/11/552203411.db2.gz MLLSKVWMJJYEMC-UHFFFAOYSA-N 0 0 535.482 4.595 50 30 aggregator KJEARN C=CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000002859546 552203676 /nfs/dbraw/zinc/20/36/76/552203676.db2.gz AORXQMSMGIBOIE-UHFFFAOYSA-N 0 0 544.475 4.764 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000002859712 552203662 /nfs/dbraw/zinc/20/36/62/552203662.db2.gz MOSQZTHILFJALF-UHFFFAOYSA-N 0 0 504.443 4.994 50 30 KJEARN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000002860892 552204153 /nfs/dbraw/zinc/20/41/53/552204153.db2.gz GINXQADZCRJXKN-UHFFFAOYSA-N 0 0 522.631 4.696 50 30 KJEARN COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002861465 552204130 /nfs/dbraw/zinc/20/41/30/552204130.db2.gz XDXSXBULAVBQNV-VWLOTQADSA-N 0 0 522.026 4.885 50 30 KJEARN COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002861466 552204198 /nfs/dbraw/zinc/20/41/98/552204198.db2.gz XDXSXBULAVBQNV-RUZDIDTESA-N 0 0 522.026 4.885 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000002861873 552204380 /nfs/dbraw/zinc/20/43/80/552204380.db2.gz UNYGGBXDQHVMRT-UHFFFAOYSA-N 0 0 520.442 4.749 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002862001 552204411 /nfs/dbraw/zinc/20/44/11/552204411.db2.gz ROVBEOUMBYKBNX-UHFFFAOYSA-N 0 0 509.941 4.797 50 30 KJEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000002867070 552205712 /nfs/dbraw/zinc/20/57/12/552205712.db2.gz YQOPFHZBOKZBQY-INIZCTEOSA-N 0 0 529.460 4.630 50 30 KJEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000002867071 552205698 /nfs/dbraw/zinc/20/56/98/552205698.db2.gz YQOPFHZBOKZBQY-MRXNPFEDSA-N 0 0 529.460 4.630 50 30 KJEARN C=CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000002867085 552205715 /nfs/dbraw/zinc/20/57/15/552205715.db2.gz KKPVHUYONSIUTI-UHFFFAOYSA-N 0 0 514.449 4.755 50 30 KJEARN C=CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000002867100 552205842 /nfs/dbraw/zinc/20/58/42/552205842.db2.gz IIJAYCCZYIAEQB-UHFFFAOYSA-N 0 0 550.866 4.801 50 30 KJEARN C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000002867116 552205834 /nfs/dbraw/zinc/20/58/34/552205834.db2.gz PGGPEDBDFBVMHD-UHFFFAOYSA-N 0 0 535.413 4.900 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000002868568 552206152 /nfs/dbraw/zinc/20/61/52/552206152.db2.gz YQQBOIGEJKXLKU-UHFFFAOYSA-N 0 0 520.840 4.541 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cc(Br)ccc1O ZINC000002883267 552209006 /nfs/dbraw/zinc/20/90/06/552209006.db2.gz VSLUKYMGZAKJRE-UHFFFAOYSA-N 0 0 509.813 4.992 50 30 KJEARN CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000002885135 552209375 /nfs/dbraw/zinc/20/93/75/552209375.db2.gz AIIZBQOTYLGQLH-VWLOTQADSA-N 0 0 520.969 4.939 50 30 KJEARN CCOC(=O)COc1c(Cl)cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1OC ZINC000002885136 552209385 /nfs/dbraw/zinc/20/93/85/552209385.db2.gz AIIZBQOTYLGQLH-RUZDIDTESA-N 0 0 520.969 4.939 50 30 KJEARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC#N ZINC000002890203 552211196 /nfs/dbraw/zinc/21/11/96/552211196.db2.gz NRZQDCRYSXDADF-LJQANCHMSA-N 0 0 519.783 4.670 50 30 KJEARN Cc1ccc(S(=O)(=O)OCCOc2ccc(Br)cc2OCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002895967 552211928 /nfs/dbraw/zinc/21/19/28/552211928.db2.gz NNORQKGWLSNZFT-UHFFFAOYSA-N 0 0 585.494 4.635 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002925170 552222538 /nfs/dbraw/zinc/22/25/38/552222538.db2.gz WILOHEYZGJXASM-IBVKSMDESA-N 0 0 506.555 4.545 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002925175 552222779 /nfs/dbraw/zinc/22/27/79/552222779.db2.gz WILOHEYZGJXASM-FQRUVTKNSA-N 0 0 506.555 4.545 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002926994 552224663 /nfs/dbraw/zinc/22/46/63/552224663.db2.gz DASGMUMNHPWMAR-DCFHFQCYSA-N 0 0 521.610 4.654 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002926997 552224729 /nfs/dbraw/zinc/22/47/29/552224729.db2.gz DASGMUMNHPWMAR-CCLHPLFOSA-N 0 0 521.610 4.654 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002927000 552224707 /nfs/dbraw/zinc/22/47/07/552224707.db2.gz DASGMUMNHPWMAR-HRFSGMKKSA-N 0 0 521.610 4.654 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002927003 552224721 /nfs/dbraw/zinc/22/47/21/552224721.db2.gz DASGMUMNHPWMAR-NFQMXDRXSA-N 0 0 521.610 4.654 50 30 KJEARN C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3I)c(OC)c2)SC1=S ZINC000002930881 552225660 /nfs/dbraw/zinc/22/56/60/552225660.db2.gz IUZKJHDXSKOYOG-LDADJPATSA-N 0 0 537.400 4.906 50 30 KJEARN C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3I)c2)SC1=S ZINC000002932398 552226406 /nfs/dbraw/zinc/22/64/06/552226406.db2.gz GQVGEZGCCHYKDC-ATVHPVEESA-N 0 0 507.374 4.898 50 30 KJEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S ZINC000002932728 552226596 /nfs/dbraw/zinc/22/65/96/552226596.db2.gz WHZOYWVFMDKFGS-ATVHPVEESA-N 0 0 507.374 4.898 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000002955486 552230626 /nfs/dbraw/zinc/23/06/26/552230626.db2.gz DPBOOZCLQYRRIG-QFIPXVFZSA-N 0 0 522.436 4.650 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000002955613 552230632 /nfs/dbraw/zinc/23/06/32/552230632.db2.gz DPBOOZCLQYRRIG-JOCHJYFZSA-N 0 0 522.436 4.650 50 30 KJEARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1ccccc1C#N ZINC000002956905 552231983 /nfs/dbraw/zinc/23/19/83/552231983.db2.gz JSIFOWPEGWNBSB-UHFFFAOYSA-N 0 0 500.624 4.541 50 30 KJEARN COc1cc(/C=N/n2cnnc2)cc(I)c1OCCOc1cc(C)ccc1C(C)C ZINC000002958036 552232969 /nfs/dbraw/zinc/23/29/69/552232969.db2.gz JBTNCZDGOCQUCH-RPPGKUMJSA-N 0 0 520.371 4.663 50 30 KJEARN CC[C@@H](C)c1ccc(OCCOc2c(I)cc(/C=N/n3cnnc3)cc2OC)cc1 ZINC000002961890 552233934 /nfs/dbraw/zinc/23/39/34/552233934.db2.gz QBZKVTLIBLOJGZ-NLOAGFHQSA-N 0 0 520.371 4.745 50 30 KJEARN CC[C@H](C)c1ccc(OCCOc2c(I)cc(/C=N/n3cnnc3)cc2OC)cc1 ZINC000002961895 552233962 /nfs/dbraw/zinc/23/39/62/552233962.db2.gz QBZKVTLIBLOJGZ-PASSITCSSA-N 0 0 520.371 4.745 50 30 KJEARN COc1cc(/C=N/n2cnnc2)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000002962848 552234895 /nfs/dbraw/zinc/23/48/95/552234895.db2.gz YRTNGFHTLRCMSP-LGJNPRDNSA-N 0 0 520.371 4.529 50 30 KJEARN CCOC(=O)c1ccc(-n2c(SCC#N)nc3c(sc(=S)n3-c3cccc(OC)c3)c2=O)cc1 ZINC000003026386 552265638 /nfs/dbraw/zinc/26/56/38/552265638.db2.gz ZPBRLEPUAPIKFL-UHFFFAOYSA-N 0 0 510.622 4.768 50 30 KJEARN CCOC(=O)c1ccc(-n2c3nc(SCC#N)n(Cc4ccc5c(c4)OCO5)c(=O)c3sc2=S)cc1 ZINC000003026942 552267338 /nfs/dbraw/zinc/26/73/38/552267338.db2.gz CXZNJPVQMUHLBN-UHFFFAOYSA-N 0 0 538.632 4.548 50 30 KJEARN CCCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1O ZINC000003032040 552268084 /nfs/dbraw/zinc/26/80/84/552268084.db2.gz SVUTYXJMOPOYMQ-UHFFFAOYSA-N 0 0 534.476 4.816 50 30 KJEARN C=CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Nc2ccc(CC)cc2)c1 ZINC000003041097 552273197 /nfs/dbraw/zinc/27/31/97/552273197.db2.gz YDPYWCZLYPFNOW-GGAORHGYSA-N 0 0 511.626 4.594 50 30 KJEARN CCOC(=O)c1ccc(NC(=S)N/N=C2\C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000003041214 552273199 /nfs/dbraw/zinc/27/31/99/552273199.db2.gz ZZMVNCGILAJHCP-IADYIPOJSA-N 0 0 510.978 4.893 50 30 KJEARN 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Cc1ccccc1NC(=O)CC1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O ZINC000003327347 552357389 /nfs/dbraw/zinc/35/73/89/552357389.db2.gz ADDUDLFEQNJZEO-QEQSUZCXSA-N 0 0 520.057 4.932 50 30 KJEARN Cc1ccccc1NC(=O)CC1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O ZINC000003327352 552357403 /nfs/dbraw/zinc/35/74/03/552357403.db2.gz ADDUDLFEQNJZEO-JUZPYSENSA-N 0 0 520.057 4.932 50 30 KJEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)c2ccccc2)c1 ZINC000003330780 552359313 /nfs/dbraw/zinc/35/93/13/552359313.db2.gz GJIUTOVFGZTMBD-UHFFFAOYSA-N 0 0 532.540 4.907 50 30 KJEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003331301 552359516 /nfs/dbraw/zinc/35/95/16/552359516.db2.gz YVMQVGSIQDFWOY-UHFFFAOYSA-N 0 0 513.915 4.528 50 30 KJEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003337102 552361341 /nfs/dbraw/zinc/36/13/41/552361341.db2.gz NHNSLBSHJPTKQO-UHFFFAOYSA-N 0 0 535.647 4.680 50 30 KJEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000003337906 552361707 /nfs/dbraw/zinc/36/17/07/552361707.db2.gz KNRSEVYAMFUTDT-UHFFFAOYSA-N 0 0 549.596 4.988 50 30 KJEARN CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1 ZINC000003339885 552362458 /nfs/dbraw/zinc/36/24/58/552362458.db2.gz IOOPIYNCCDZFPK-QHCPKHFHSA-N 0 0 505.987 4.892 50 30 KJEARN CC(=O)Nc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1 ZINC000003339888 552362424 /nfs/dbraw/zinc/36/24/24/552362424.db2.gz IOOPIYNCCDZFPK-HSZRJFAPSA-N 0 0 505.987 4.892 50 30 KJEARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cc1 ZINC000003344737 552364531 /nfs/dbraw/zinc/36/45/31/552364531.db2.gz YGKNFWYGJYEEJB-UHFFFAOYSA-N 0 0 553.662 4.518 50 30 KJEARN C=CCn1c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2scc(-c3ccco3)c2c1=O ZINC000003358181 552369781 /nfs/dbraw/zinc/36/97/81/552369781.db2.gz IDYOONIAWUTEFR-UHFFFAOYSA-N 0 0 506.609 4.760 50 30 KJEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C(N)=O)c1 ZINC000003361125 552371222 /nfs/dbraw/zinc/37/12/22/552371222.db2.gz USXSFLSAYOEDOO-UHFFFAOYSA-N 0 0 510.424 4.787 50 30 KJEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000003371327 552375273 /nfs/dbraw/zinc/37/52/73/552375273.db2.gz HCNWQUOXHDZUCD-UHFFFAOYSA-N 0 0 505.548 4.711 50 30 KJEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000003379703 1066514208 /nfs/dbraw/zinc/51/42/08/1066514208.db2.gz ROCIBBXVJCXLTD-LFVJCYFKSA-N 0 0 550.599 4.530 50 30 KJEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000003413935 552382579 /nfs/dbraw/zinc/38/25/79/552382579.db2.gz BAAQSUAEDHSXAK-UHFFFAOYSA-N 0 0 548.042 4.604 50 30 KJEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)OC)c(C)o2)ccc1Cl ZINC000003420761 552383598 /nfs/dbraw/zinc/38/35/98/552383598.db2.gz QVTZWYCDHOYSJI-UHFFFAOYSA-N 0 0 521.950 4.905 50 30 KJEARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCc3nc4ccccc4c(=O)n3CC#N)cc12 ZINC000003422106 552383951 /nfs/dbraw/zinc/38/39/51/552383951.db2.gz FFPUDWOKNWVLLA-UHFFFAOYSA-N 0 0 503.971 4.698 50 30 KJEARN C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)Cc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003426238 552384467 /nfs/dbraw/zinc/38/44/67/552384467.db2.gz WNCOOSLCDBPZOP-UHFFFAOYSA-N 0 0 563.097 4.577 50 30 KJEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)/C=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000003433035 552385762 /nfs/dbraw/zinc/38/57/62/552385762.db2.gz FWRKPAHOVOSVQT-CMDGGOBGSA-N 0 0 519.410 4.995 50 30 KJEARN Cc1cc(C(=O)COC(=O)c2ccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)cc2)c(C)n1C1CC1 ZINC000003441919 552387683 /nfs/dbraw/zinc/38/76/83/552387683.db2.gz UPWSKGDVFQORHH-UHFFFAOYSA-N 0 0 526.618 4.806 50 30 KJEARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000003452820 552389156 /nfs/dbraw/zinc/38/91/56/552389156.db2.gz GDQCSGQIPKRFPF-MYUZEXMDSA-N 0 0 517.651 4.763 50 30 KJEARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000003452823 552389080 /nfs/dbraw/zinc/38/90/80/552389080.db2.gz GDQCSGQIPKRFPF-CLYVBNDRSA-N 0 0 517.651 4.763 50 30 KJEARN CCOc1ccc(CCn2c(=O)[nH]c(=O)c3c2NC(c2cccc(F)c2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000003618634 552392881 /nfs/dbraw/zinc/39/28/81/552392881.db2.gz VXQACFXTRPVJHL-UHFFFAOYSA-N 0 0 588.480 4.717 50 30 biogenic KJEARN COc1ccc(CCN2C(=O)[C@](NC(=O)c3ccccc3F)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000003624288 552395048 /nfs/dbraw/zinc/39/50/48/552395048.db2.gz VDPJIMNJWLCRTN-MHZLTWQESA-N 0 0 548.533 4.602 50 30 KJEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3ccccc3F)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000003624290 552395033 /nfs/dbraw/zinc/39/50/33/552395033.db2.gz VDPJIMNJWLCRTN-HHHXNRCGSA-N 0 0 548.533 4.602 50 30 KJEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003626779 552395791 /nfs/dbraw/zinc/39/57/91/552395791.db2.gz OLCBDFRJESLUBU-VWLOTQADSA-N 0 0 504.480 4.551 50 30 KJEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003626781 552395884 /nfs/dbraw/zinc/39/58/84/552395884.db2.gz OLCBDFRJESLUBU-RUZDIDTESA-N 0 0 504.480 4.551 50 30 KJEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000003626895 552395881 /nfs/dbraw/zinc/39/58/81/552395881.db2.gz YRCXVFICYASEBX-MHZLTWQESA-N 0 0 564.532 4.568 50 30 KJEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000003626896 552395851 /nfs/dbraw/zinc/39/58/51/552395851.db2.gz YRCXVFICYASEBX-HHHXNRCGSA-N 0 0 564.532 4.568 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)[C@](NC(=O)c3ccc(C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000003629228 552396154 /nfs/dbraw/zinc/39/61/54/552396154.db2.gz BGKJSBWTEMPVKA-MHZLTWQESA-N 0 0 528.527 4.893 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)[C@@](NC(=O)c3ccc(C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000003629229 552396337 /nfs/dbraw/zinc/39/63/37/552396337.db2.gz BGKJSBWTEMPVKA-HHHXNRCGSA-N 0 0 528.527 4.893 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000003640022 552399634 /nfs/dbraw/zinc/39/96/34/552399634.db2.gz SFUWGCUCUQRYRM-PUAOIOHZSA-N 0 0 572.452 4.723 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000003640027 552399663 /nfs/dbraw/zinc/39/96/63/552399663.db2.gz SFUWGCUCUQRYRM-CPJLOUKISA-N 0 0 572.452 4.723 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000003640030 552399623 /nfs/dbraw/zinc/39/96/23/552399623.db2.gz SFUWGCUCUQRYRM-IVCQMTBJSA-N 0 0 572.452 4.723 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000003640036 552399609 /nfs/dbraw/zinc/39/96/09/552399609.db2.gz SFUWGCUCUQRYRM-LMKMVOKYSA-N 0 0 572.452 4.723 50 30 KJEARN O=C(CCN(/N=C/c1ccc(Cl)cc1Cl)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 ZINC000003642124 552399893 /nfs/dbraw/zinc/39/98/93/552399893.db2.gz JBOWCQYKXNSLHR-CVKSISIWSA-N 0 0 507.443 4.617 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000003643544 552400897 /nfs/dbraw/zinc/40/08/97/552400897.db2.gz JWSNGDJSLGOVDJ-NRFANRHFSA-N 0 0 518.547 4.668 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000003643545 552400893 /nfs/dbraw/zinc/40/08/93/552400893.db2.gz JWSNGDJSLGOVDJ-OAQYLSRUSA-N 0 0 518.547 4.668 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000003643551 552400890 /nfs/dbraw/zinc/40/08/90/552400890.db2.gz VEKHZCLRNRBBBO-NRFANRHFSA-N 0 0 518.547 4.755 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000003643552 552400852 /nfs/dbraw/zinc/40/08/52/552400852.db2.gz VEKHZCLRNRBBBO-OAQYLSRUSA-N 0 0 518.547 4.755 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000003643555 552400915 /nfs/dbraw/zinc/40/09/15/552400915.db2.gz NOWGFCJDPYZNGW-NRFANRHFSA-N 0 0 548.573 4.676 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000003643557 552400855 /nfs/dbraw/zinc/40/08/55/552400855.db2.gz NOWGFCJDPYZNGW-OAQYLSRUSA-N 0 0 548.573 4.676 50 30 KJEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(OC)cc2)c2ccccc2S1(=O)=O ZINC000003644641 552401416 /nfs/dbraw/zinc/40/14/16/552401416.db2.gz KDTKSZWYJTTXQQ-UHFFFAOYSA-N 0 0 504.608 4.871 50 30 aggregator KJEARN Cc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 ZINC000003647640 552401696 /nfs/dbraw/zinc/40/16/96/552401696.db2.gz DFHJCXNMSZHHFS-NRFANRHFSA-N 0 0 502.592 4.589 50 30 KJEARN Cc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 ZINC000003647643 552401685 /nfs/dbraw/zinc/40/16/85/552401685.db2.gz DFHJCXNMSZHHFS-OAQYLSRUSA-N 0 0 502.592 4.589 50 30 KJEARN CCCCOC(=O)c1ccc(N/N=C2/SC3=NC(C)=C(C(=O)OCC)[C@H](c4ccc(OC)cc4)N3C2=O)cc1 ZINC000003663581 552407751 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/nfs/dbraw/zinc/06/54/26/553065426.db2.gz GHQULBBAHDLRHZ-OTLSAKNDSA-N 0 0 611.343 4.932 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(Br)cc2C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c(OC)c1 ZINC000008453113 553065481 /nfs/dbraw/zinc/06/54/81/553065481.db2.gz KKLFKVQXRHXHQV-STKMKYKTSA-N 0 0 653.578 4.553 50 30 KJEARN COc1cc(OC(=O)c2cccc(Br)c2)ccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000008453659 553066651 /nfs/dbraw/zinc/06/66/51/553066651.db2.gz GKEYQOODGOCMGS-UXHLAJHPSA-N 0 0 604.465 4.888 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000008467384 553075632 /nfs/dbraw/zinc/07/56/32/553075632.db2.gz YVHGTIBEDUAJGM-QHCPKHFHSA-N 0 0 552.377 4.713 50 30 KJEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCCOCCOc1cccc(C)c1 ZINC000008492211 553075674 /nfs/dbraw/zinc/07/56/74/553075674.db2.gz YEXWBFQAFTWSRK-AWSUPERCSA-N 0 0 560.699 4.914 50 30 KJEARN Cc1ccc(OCCOc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1C ZINC000008492627 553076124 /nfs/dbraw/zinc/07/61/24/553076124.db2.gz SULRAKBZDXYRCR-ZTKZIYFRSA-N 0 0 501.635 4.593 50 30 KJEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCc1ccccc1 ZINC000008492637 553076099 /nfs/dbraw/zinc/07/60/99/553076099.db2.gz IXLXLAIJXYMRCH-OGLMXYFKSA-N 0 0 508.026 4.759 50 30 KJEARN C=CCc1ccc(OCCOc2ccccc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c(OC)c1 ZINC000008492818 553076055 /nfs/dbraw/zinc/07/60/55/553076055.db2.gz JELPPUZPNOWKFD-DFKUXCBWSA-N 0 0 543.672 4.713 50 30 KJEARN Brc1ccc(OCCOc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000008492847 553076131 /nfs/dbraw/zinc/07/61/31/553076131.db2.gz CUMQLHSFMJHDSO-TURZUDJPSA-N 0 0 552.477 4.738 50 30 KJEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000008492981 553076127 /nfs/dbraw/zinc/07/61/27/553076127.db2.gz LECHFUUDWDKLQF-RDRPBHBLSA-N 0 0 630.569 4.755 50 30 KJEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(I)c1OCCOc1ccccc1C ZINC000008493008 553076116 /nfs/dbraw/zinc/07/61/16/553076116.db2.gz SLFGBDZMBFRHKV-NDZAJKAJSA-N 0 0 643.530 4.897 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000008494966 553077157 /nfs/dbraw/zinc/07/71/57/553077157.db2.gz PANXBQFUEGJWFE-XJEZJLPISA-N 0 0 506.584 4.529 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000008495212 553077123 /nfs/dbraw/zinc/07/71/23/553077123.db2.gz UGPVDUYWBWMDPY-AUHQHGMUSA-N 0 0 520.611 4.919 50 30 KJEARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3ccccc3C#N)c2=O)cc1 ZINC000008596142 553089782 /nfs/dbraw/zinc/08/97/82/553089782.db2.gz VAMZNHAZIFFKRN-UHFFFAOYSA-N 0 0 528.612 4.607 50 30 KJEARN Cn1c2nc(N=NCc3ccc(Cl)cc3Cl)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000008636864 553105566 /nfs/dbraw/zinc/10/55/66/553105566.db2.gz QSUNQFVMCMSJSW-JQAMDZJQSA-N 0 0 526.211 4.542 50 30 KJEARN CCCc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c3ccccc3nc2c1C#N ZINC000008671920 553110381 /nfs/dbraw/zinc/11/03/81/553110381.db2.gz BIBFLLLNJYZYLQ-UHFFFAOYSA-N 0 0 510.623 4.840 50 30 KJEARN O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1 ZINC000008680829 1066471750 /nfs/dbraw/zinc/47/17/50/1066471750.db2.gz FVWJAUCMVNZKOE-UHFFFAOYSA-N 0 0 564.426 4.791 50 30 KJEARN Nc1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)c1 ZINC000008681156 553112349 /nfs/dbraw/zinc/11/23/49/553112349.db2.gz DHCYVVUEEQUHKM-UHFFFAOYSA-N 0 0 519.246 4.941 50 30 KJEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)cc1 ZINC000008684017 553113171 /nfs/dbraw/zinc/11/31/71/553113171.db2.gz UNDFZBNKRLKXPJ-UHFFFAOYSA-N 0 0 500.605 4.681 50 30 KJEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Cl)cc2Cl)c1[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000008686147 553114789 /nfs/dbraw/zinc/11/47/89/553114789.db2.gz WRAKMRLCVVYPCQ-LDLOPFEMSA-N 0 0 592.380 4.835 50 30 KJEARN COc1ccc(NS(=O)(=O)c2cccc(NC(=NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)c2)cc1 ZINC000008686812 553115860 /nfs/dbraw/zinc/11/58/60/553115860.db2.gz MBFJXJXTFLDDHM-UHFFFAOYSA-N 0 0 539.610 4.883 50 30 KJEARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000008687859 553116859 /nfs/dbraw/zinc/11/68/59/553116859.db2.gz IBETVUSEERHNHP-UHFFFAOYSA-N 0 0 538.761 4.620 50 30 KJEARN CN1C(=O)C(=C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c2ccc(F)cc2)C(=O)N(C)C1=O ZINC000008695067 553120985 /nfs/dbraw/zinc/12/09/85/553120985.db2.gz JBSWWEKVDSSQCM-MXNGAVTRSA-N 0 0 526.568 4.584 50 30 KJEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000008695139 553120936 /nfs/dbraw/zinc/12/09/36/553120936.db2.gz URNGNXKPHQNZEK-BLCKFSMSSA-N 0 0 522.605 4.754 50 30 KJEARN Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000008722613 553130210 /nfs/dbraw/zinc/13/02/10/553130210.db2.gz MSFNJLWCCFGZDL-ZTKZIYFRSA-N 0 0 531.617 4.797 50 30 KJEARN Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=NNc1cc(N2CCCC2)nc(N2CCCC2)n1 ZINC000008722614 553130171 /nfs/dbraw/zinc/13/01/71/553130171.db2.gz AMHJSHWLIHXSAX-ZTKZIYFRSA-N 0 0 531.617 4.797 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000008738384 553130792 /nfs/dbraw/zinc/13/07/92/553130792.db2.gz DDRHEJWQBWGDSV-AREMUKBSSA-N 0 0 510.606 4.614 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000008740076 553131864 /nfs/dbraw/zinc/13/18/64/553131864.db2.gz DDRHEJWQBWGDSV-SANMLTNESA-N 0 0 510.606 4.614 50 30 KJEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008741190 553132510 /nfs/dbraw/zinc/13/25/10/553132510.db2.gz HLCUTMMUZXWUDI-LGJNPRDNSA-N 0 0 506.475 4.862 50 30 KJEARN O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1OC(F)(F)C(F)F ZINC000008750217 553135266 /nfs/dbraw/zinc/13/52/66/553135266.db2.gz VOAJEGWVUNKMKC-UHFFFAOYSA-N 0 0 528.812 4.663 50 30 KJEARN COc1ccc2c(CCNC(=NC(=O)c3ccc(Br)cc3)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000008758404 553136990 /nfs/dbraw/zinc/13/69/90/553136990.db2.gz CUDOJURDYULEIP-UHFFFAOYSA-N 0 0 521.419 4.786 50 30 KJEARN COc1cc(C(=O)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc(OC)c1OC ZINC000008758671 553137263 /nfs/dbraw/zinc/13/72/63/553137263.db2.gz HDEPTWFTASWMNV-UHFFFAOYSA-N 0 0 537.020 4.695 50 30 KJEARN Cc1c(C)n(Cc2ccccc2)c(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1C#N ZINC000008782060 553144700 /nfs/dbraw/zinc/14/47/00/553144700.db2.gz PZKSJBBMZWUOIP-UHFFFAOYSA-N 0 0 505.621 4.609 50 30 KJEARN C=CCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4cccc(OC)c4)N3C2=O)cc1 ZINC000008790403 553146393 /nfs/dbraw/zinc/14/63/93/553146393.db2.gz CPLWDSRNEYEHSH-AHKZPQOWSA-N 0 0 506.562 4.575 50 30 biogenic KJEARN C=CCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4cccc(OC)c4)N3C2=O)cc1 ZINC000008790404 553146442 /nfs/dbraw/zinc/14/64/42/553146442.db2.gz CPLWDSRNEYEHSH-BDYUSTAISA-N 0 0 506.562 4.575 50 30 biogenic KJEARN C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(OC)cc3)N2C1=O ZINC000008791324 553147062 /nfs/dbraw/zinc/14/70/62/553147062.db2.gz BSYNXZQHDXQBTG-AHKZPQOWSA-N 0 0 506.562 4.575 50 30 biogenic KJEARN C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)cc3)N2C1=O ZINC000008791325 553147026 /nfs/dbraw/zinc/14/70/26/553147026.db2.gz BSYNXZQHDXQBTG-BDYUSTAISA-N 0 0 506.562 4.575 50 30 biogenic KJEARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000008791640 553147238 /nfs/dbraw/zinc/14/72/38/553147238.db2.gz MKYGYEGRROZEKQ-KJPXCWHJSA-N 0 0 500.599 4.754 50 30 biogenic KJEARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000008791642 553147215 /nfs/dbraw/zinc/14/72/15/553147215.db2.gz MKYGYEGRROZEKQ-PCWBSFAKSA-N 0 0 500.599 4.754 50 30 biogenic KJEARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000008791643 553147288 /nfs/dbraw/zinc/14/72/88/553147288.db2.gz MKYGYEGRROZEKQ-GFUVIIAASA-N 0 0 500.599 4.754 50 30 biogenic KJEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000008813702 553151190 /nfs/dbraw/zinc/15/11/90/553151190.db2.gz WRZNTLFATQXJLF-DEOSSOPVSA-N 0 0 501.645 4.911 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000008813704 553151171 /nfs/dbraw/zinc/15/11/71/553151171.db2.gz WRZNTLFATQXJLF-XMMPIXPASA-N 0 0 501.645 4.911 50 30 KJEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008816969 553152285 /nfs/dbraw/zinc/15/22/85/553152285.db2.gz GOEZPPIIOCDBJW-DFXXOVSGSA-N 0 0 520.670 4.736 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008816970 553152303 /nfs/dbraw/zinc/15/23/03/553152303.db2.gz GOEZPPIIOCDBJW-TXTDGAROSA-N 0 0 520.670 4.736 50 30 KJEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000008817137 553152644 /nfs/dbraw/zinc/15/26/44/553152644.db2.gz HNGGHZRGMWUOOV-NKFKGCMQSA-N 0 0 516.692 4.849 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008817337 553152600 /nfs/dbraw/zinc/15/26/00/553152600.db2.gz MMOKMUUQSMYWTG-AREMUKBSSA-N 0 0 506.643 4.602 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008817884 553153176 /nfs/dbraw/zinc/15/31/76/553153176.db2.gz NWFIPPDLWBXEOR-QHCPKHFHSA-N 0 0 519.425 4.611 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008817885 553153138 /nfs/dbraw/zinc/15/31/38/553153138.db2.gz NWFIPPDLWBXEOR-HSZRJFAPSA-N 0 0 519.425 4.611 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008817977 553153393 /nfs/dbraw/zinc/15/33/93/553153393.db2.gz PVWJCCNWGMRRES-QHCPKHFHSA-N 0 0 519.425 4.611 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000008817978 553153404 /nfs/dbraw/zinc/15/34/04/553153404.db2.gz PVWJCCNWGMRRES-HSZRJFAPSA-N 0 0 519.425 4.611 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008818088 553153466 /nfs/dbraw/zinc/15/34/66/553153466.db2.gz MMOKMUUQSMYWTG-SANMLTNESA-N 0 0 506.643 4.602 50 30 KJEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008827110 553156333 /nfs/dbraw/zinc/15/63/33/553156333.db2.gz RMAUASLUFWSIRH-XMMPIXPASA-N 0 0 518.614 4.581 50 30 KJEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008827111 553156352 /nfs/dbraw/zinc/15/63/52/553156352.db2.gz RMAUASLUFWSIRH-DEOSSOPVSA-N 0 0 518.614 4.581 50 30 KJEARN Cc1sc(-c2ccccc2)nc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000008827522 553156567 /nfs/dbraw/zinc/15/65/67/553156567.db2.gz FGGMKARHQZWWOP-HSZRJFAPSA-N 0 0 524.042 4.682 50 30 KJEARN Cc1sc(-c2ccccc2)nc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000008827523 553156745 /nfs/dbraw/zinc/15/67/45/553156745.db2.gz FGGMKARHQZWWOP-QHCPKHFHSA-N 0 0 524.042 4.682 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000008827605 553156620 /nfs/dbraw/zinc/15/66/20/553156620.db2.gz SKVJZTAPGHUJNZ-XMMPIXPASA-N 0 0 500.507 4.945 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000008827606 553156652 /nfs/dbraw/zinc/15/66/52/553156652.db2.gz SKVJZTAPGHUJNZ-DEOSSOPVSA-N 0 0 500.507 4.945 50 30 KJEARN C[C@H](NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccccc3)o2)c(=O)n1-c1ccccc1)c1ccccc1 ZINC000008828082 553156914 /nfs/dbraw/zinc/15/69/14/553156914.db2.gz JMMZTSGZKYWCQU-ITLMYXCTSA-N 0 0 517.610 4.539 50 30 KJEARN C[C@@H](NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccccc3)o2)c(=O)n1-c1ccccc1)c1ccccc1 ZINC000008828083 553157225 /nfs/dbraw/zinc/15/72/25/553157225.db2.gz JMMZTSGZKYWCQU-BOYOLJTQSA-N 0 0 517.610 4.539 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCCOc1ccc(OC)cc1 ZINC000008829913 553157901 /nfs/dbraw/zinc/15/79/01/553157901.db2.gz BVEGLWLOQHKZSP-UHFFFAOYSA-N 0 0 507.443 4.923 50 30 KJEARN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N(CC(C)C)CC(C)C)cc1OC ZINC000008834443 553161010 /nfs/dbraw/zinc/16/10/10/553161010.db2.gz RWRDYQYTWMZKQE-JOCHJYFZSA-N 0 0 503.647 4.731 50 30 KJEARN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N(CC(C)C)CC(C)C)cc1OC ZINC000008834444 553161057 /nfs/dbraw/zinc/16/10/57/553161057.db2.gz RWRDYQYTWMZKQE-QFIPXVFZSA-N 0 0 503.647 4.731 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008834795 553161017 /nfs/dbraw/zinc/16/10/17/553161017.db2.gz RKCIYZKPPOOHSL-ZMIGGIFCSA-N 0 0 517.006 4.878 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008834796 553161088 /nfs/dbraw/zinc/16/10/88/553161088.db2.gz RKCIYZKPPOOHSL-OWXSRONMSA-N 0 0 517.006 4.878 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000008836189 553162911 /nfs/dbraw/zinc/16/29/11/553162911.db2.gz MHOLQNDDYHTWHH-QHCPKHFHSA-N 0 0 519.425 4.611 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008836592 553163133 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COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(C(C)C)cc3)oc21 ZINC000008919028 553188773 /nfs/dbraw/zinc/18/87/73/553188773.db2.gz RIKMLLRSNYPHSY-CJJGVWJISA-N 0 0 518.610 4.709 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000008919611 553188943 /nfs/dbraw/zinc/18/89/43/553188943.db2.gz WNNYHQCFJSXSPM-HHHXNRCGSA-N 0 0 506.643 4.783 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008920965 553189429 /nfs/dbraw/zinc/18/94/29/553189429.db2.gz QUMSDWUAQKDRSK-SANMLTNESA-N 0 0 519.598 4.748 50 30 KJEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000008920986 553189500 /nfs/dbraw/zinc/18/95/00/553189500.db2.gz LCPHEORUANSANF-KXZPLDGJSA-N 0 0 506.352 4.585 50 30 KJEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000008920992 553189538 /nfs/dbraw/zinc/18/95/38/553189538.db2.gz LCPHEORUANSANF-MDRWGITRSA-N 0 0 506.352 4.585 50 30 KJEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000008921211 553189731 /nfs/dbraw/zinc/18/97/31/553189731.db2.gz CRZHNKMOFIUKGX-JWIQXXRHSA-N 0 0 520.379 4.627 50 30 KJEARN O=C(C=Cc1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000008921215 553189680 /nfs/dbraw/zinc/18/96/80/553189680.db2.gz CRZHNKMOFIUKGX-DIPPXIFJSA-N 0 0 520.379 4.627 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@H]1c1cccc(Br)c1 ZINC000008922418 553190064 /nfs/dbraw/zinc/19/00/64/553190064.db2.gz FTTWFECPTHCYJC-HOGKFDNTSA-N 0 0 501.421 4.530 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000008922420 553190029 /nfs/dbraw/zinc/19/00/29/553190029.db2.gz FTTWFECPTHCYJC-MOBKVPTQSA-N 0 0 501.421 4.530 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000008922428 553190361 /nfs/dbraw/zinc/19/03/61/553190361.db2.gz JZFSZPRNTXAGSG-SANMLTNESA-N 0 0 518.635 4.546 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008922591 553190334 /nfs/dbraw/zinc/19/03/34/553190334.db2.gz HPRMDQPRLZGVHI-NRFANRHFSA-N 0 0 509.817 4.947 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008922594 553190268 /nfs/dbraw/zinc/19/02/68/553190268.db2.gz HPRMDQPRLZGVHI-OAQYLSRUSA-N 0 0 509.817 4.947 50 30 KJEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008934667 553192837 /nfs/dbraw/zinc/19/28/37/553192837.db2.gz DFXSHWCYOXNTNX-HSZRJFAPSA-N 0 0 519.425 4.693 50 30 KJEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008934668 553192937 /nfs/dbraw/zinc/19/29/37/553192937.db2.gz DFXSHWCYOXNTNX-QHCPKHFHSA-N 0 0 519.425 4.693 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008934686 553192949 /nfs/dbraw/zinc/19/29/49/553192949.db2.gz AZBQVQFWRYGIKC-MHZLTWQESA-N 0 0 518.654 4.850 50 30 KJEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000008934797 553193166 /nfs/dbraw/zinc/19/31/66/553193166.db2.gz UGUJXYBMKSITPJ-HSZRJFAPSA-N 0 0 522.399 4.879 50 30 KJEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000008934798 553193212 /nfs/dbraw/zinc/19/32/12/553193212.db2.gz UGUJXYBMKSITPJ-QHCPKHFHSA-N 0 0 522.399 4.879 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000008952013 553194012 /nfs/dbraw/zinc/19/40/12/553194012.db2.gz RBXGYEZJKQEOEM-JIDDHEAESA-N 0 0 503.580 4.642 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000008952014 553193954 /nfs/dbraw/zinc/19/39/54/553193954.db2.gz RBXGYEZJKQEOEM-GDHFJQHYSA-N 0 0 503.580 4.642 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000008952401 553193997 /nfs/dbraw/zinc/19/39/97/553193997.db2.gz UGPVDUYWBWMDPY-MZTPOYRLSA-N 0 0 520.611 4.919 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008981388 553196001 /nfs/dbraw/zinc/19/60/01/553196001.db2.gz LHFCTFNMPQWIQE-IUKMQXEJSA-N 0 0 513.034 4.616 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(C(C)C)cc3)oc21 ZINC000008981836 553195982 /nfs/dbraw/zinc/19/59/82/553195982.db2.gz RIKMLLRSNYPHSY-CZNAVJSXSA-N 0 0 518.610 4.709 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000008982517 553196094 /nfs/dbraw/zinc/19/60/94/553196094.db2.gz WNNYHQCFJSXSPM-MHZLTWQESA-N 0 0 506.643 4.783 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008984739 553196446 /nfs/dbraw/zinc/19/64/46/553196446.db2.gz QUMSDWUAQKDRSK-AREMUKBSSA-N 0 0 519.598 4.748 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000008987100 553196631 /nfs/dbraw/zinc/19/66/31/553196631.db2.gz JZFSZPRNTXAGSG-AREMUKBSSA-N 0 0 518.635 4.546 50 30 KJEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000008996821 553197471 /nfs/dbraw/zinc/19/74/71/553197471.db2.gz FQELJGQKBNOEHU-NDEPHWFRSA-N 0 0 530.621 4.776 50 30 KJEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000008996822 553197487 /nfs/dbraw/zinc/19/74/87/553197487.db2.gz FQELJGQKBNOEHU-MUUNZHRXSA-N 0 0 530.621 4.776 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009007533 553198142 /nfs/dbraw/zinc/19/81/42/553198142.db2.gz KJEKWHJITIIGLW-NDEPHWFRSA-N 0 0 528.605 4.706 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000009007762 553198299 /nfs/dbraw/zinc/19/82/99/553198299.db2.gz NZEKMUZXJQFHAK-GDLZYMKVSA-N 0 0 526.633 4.875 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000009007780 553198251 /nfs/dbraw/zinc/19/82/51/553198251.db2.gz NYULRCQQTMSRQY-HHHXNRCGSA-N 0 0 506.643 4.783 50 30 KJEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3)S2)cc1 ZINC000009007923 553198308 /nfs/dbraw/zinc/19/83/08/553198308.db2.gz NZSAQBJLFCSLAG-OJEZVBBGSA-N 0 0 519.623 4.915 50 30 KJEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3)S2)cc1 ZINC000009007924 553198310 /nfs/dbraw/zinc/19/83/10/553198310.db2.gz NZSAQBJLFCSLAG-DXWCKFLSSA-N 0 0 519.623 4.915 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(=O)C(=C([O-])c2c(C)nc3ccccn32)[C@H]1c1ccc(Br)cc1 ZINC000009008271 553198520 /nfs/dbraw/zinc/19/85/20/553198520.db2.gz PTUNWNRMMMMGFH-COUQNMRISA-N 0 0 525.447 4.559 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(=O)C(=C([O-])c2c(C)nc3ccccn32)[C@@H]1c1ccc(Br)cc1 ZINC000009008272 553198563 /nfs/dbraw/zinc/19/85/63/553198563.db2.gz PTUNWNRMMMMGFH-BUANBSPESA-N 0 0 525.447 4.559 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000009008562 553198981 /nfs/dbraw/zinc/19/89/81/553198981.db2.gz VITWRQLIRHFYLM-HXUWFJFHSA-N 0 0 500.780 4.968 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000009008563 553199044 /nfs/dbraw/zinc/19/90/44/553199044.db2.gz VITWRQLIRHFYLM-FQEVSTJZSA-N 0 0 500.780 4.968 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009008698 553199014 /nfs/dbraw/zinc/19/90/14/553199014.db2.gz KJEKWHJITIIGLW-MUUNZHRXSA-N 0 0 528.605 4.706 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 ZINC000009008745 553199208 /nfs/dbraw/zinc/19/92/08/553199208.db2.gz NZEKMUZXJQFHAK-LJAQVGFWSA-N 0 0 526.633 4.875 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009008754 553199318 /nfs/dbraw/zinc/19/93/18/553199318.db2.gz NYULRCQQTMSRQY-MHZLTWQESA-N 0 0 506.643 4.783 50 30 KJEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC(C)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009009678 553199527 /nfs/dbraw/zinc/19/95/27/553199527.db2.gz KUCUPZPBWTYCCF-IEVQEWPMSA-N 0 0 522.557 4.554 50 30 KJEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009009679 553199506 /nfs/dbraw/zinc/19/95/06/553199506.db2.gz KUCUPZPBWTYCCF-WIXZECKYSA-N 0 0 522.557 4.554 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000009018995 553200775 /nfs/dbraw/zinc/20/07/75/553200775.db2.gz PDVSCLPDFZFRML-OAQYLSRUSA-N 0 0 522.579 4.737 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000009018996 553200730 /nfs/dbraw/zinc/20/07/30/553200730.db2.gz PDVSCLPDFZFRML-NRFANRHFSA-N 0 0 522.579 4.737 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009020016 553201168 /nfs/dbraw/zinc/20/11/68/553201168.db2.gz KJOHKWKJPVWJAD-RUZDIDTESA-N 0 0 502.523 4.707 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009020017 553201107 /nfs/dbraw/zinc/20/11/07/553201107.db2.gz KJOHKWKJPVWJAD-VWLOTQADSA-N 0 0 502.523 4.707 50 30 KJEARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000009033359 553201679 /nfs/dbraw/zinc/20/16/79/553201679.db2.gz DDHZWPSFJDFKDR-PPJQQKICSA-N 0 0 534.697 4.749 50 30 biogenic KJEARN COc1cc(/C=C/C(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC ZINC000009034070 553201879 /nfs/dbraw/zinc/20/18/79/553201879.db2.gz DUDLUWWYMRDOCH-KPKJPENVSA-N 0 0 508.523 4.854 50 30 biogenic KJEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009042241 553202461 /nfs/dbraw/zinc/20/24/61/553202461.db2.gz FMOQBUNKMOAXHU-HSZRJFAPSA-N 0 0 502.479 4.563 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009042243 553202523 /nfs/dbraw/zinc/20/25/23/553202523.db2.gz FMOQBUNKMOAXHU-QHCPKHFHSA-N 0 0 502.479 4.563 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000009042946 553202651 /nfs/dbraw/zinc/20/26/51/553202651.db2.gz NILXTSXSARKFAH-MUUNZHRXSA-N 0 0 530.596 4.624 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)ccc1O ZINC000009043333 553202902 /nfs/dbraw/zinc/20/29/02/553202902.db2.gz WXBCXPRFAWPCAA-HHHXNRCGSA-N 0 0 517.578 4.903 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)ccc1O ZINC000009043337 553202904 /nfs/dbraw/zinc/20/29/04/553202904.db2.gz WXBCXPRFAWPCAA-MHZLTWQESA-N 0 0 517.578 4.903 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009044100 553203163 /nfs/dbraw/zinc/20/31/63/553203163.db2.gz UQBHJSVBVZVJMU-NRFANRHFSA-N 0 0 522.579 4.737 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009044957 553203241 /nfs/dbraw/zinc/20/32/41/553203241.db2.gz RUDXPPCLTHBFGI-VWLOTQADSA-N 0 0 527.614 4.670 50 30 biogenic KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C ZINC000009045294 553203362 /nfs/dbraw/zinc/20/33/62/553203362.db2.gz NRTOAVAZKINOJL-NRFANRHFSA-N 0 0 520.563 4.600 50 30 KJEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009045636 553203536 /nfs/dbraw/zinc/20/35/36/553203536.db2.gz LDEHCLJHEPNBMP-HSZRJFAPSA-N 0 0 522.399 4.879 50 30 KJEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009045641 553203498 /nfs/dbraw/zinc/20/34/98/553203498.db2.gz LDEHCLJHEPNBMP-QHCPKHFHSA-N 0 0 522.399 4.879 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000009045909 553203582 /nfs/dbraw/zinc/20/35/82/553203582.db2.gz NDJGHALVERTFLG-NDEPHWFRSA-N 0 0 528.605 4.706 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009046420 553203739 /nfs/dbraw/zinc/20/37/39/553203739.db2.gz JVDTXVTZDZDLCG-QHCPKHFHSA-N 0 0 519.425 4.611 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009046421 553203710 /nfs/dbraw/zinc/20/37/10/553203710.db2.gz JVDTXVTZDZDLCG-HSZRJFAPSA-N 0 0 519.425 4.611 50 30 KJEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000009053410 553204417 /nfs/dbraw/zinc/20/44/17/553204417.db2.gz BIDWLWSAIFIPAE-PVPMGCCUSA-N 0 0 506.555 4.984 50 30 KJEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000009053416 553204363 /nfs/dbraw/zinc/20/43/63/553204363.db2.gz BIDWLWSAIFIPAE-WZQKQDCOSA-N 0 0 506.555 4.984 50 30 KJEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000009053418 553204420 /nfs/dbraw/zinc/20/44/20/553204420.db2.gz BIDWLWSAIFIPAE-QWXGXRTQSA-N 0 0 506.555 4.984 50 30 KJEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cc(OC)c(OC)cc2OC)c1 ZINC000009053429 553204387 /nfs/dbraw/zinc/20/43/87/553204387.db2.gz BIDWLWSAIFIPAE-HAWMADMCSA-N 0 0 506.555 4.984 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009065027 553205740 /nfs/dbraw/zinc/20/57/40/553205740.db2.gz QAKMPENCVCSEON-DEOSSOPVSA-N 0 0 508.958 4.929 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009065028 553205674 /nfs/dbraw/zinc/20/56/74/553205674.db2.gz QAKMPENCVCSEON-XMMPIXPASA-N 0 0 508.958 4.929 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000009065102 553205784 /nfs/dbraw/zinc/20/57/84/553205784.db2.gz PDCRGGDBAKVVCZ-AREMUKBSSA-N 0 0 527.061 4.984 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009068055 553206591 /nfs/dbraw/zinc/20/65/91/553206591.db2.gz NNODTZLYBAXQTL-HXUWFJFHSA-N 0 0 500.780 4.968 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009069081 553206849 /nfs/dbraw/zinc/20/68/49/553206849.db2.gz VBELSXCDXZILNW-OAQYLSRUSA-N 0 0 522.579 4.737 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009069086 553206833 /nfs/dbraw/zinc/20/68/33/553206833.db2.gz VBELSXCDXZILNW-NRFANRHFSA-N 0 0 522.579 4.737 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000009075953 553207519 /nfs/dbraw/zinc/20/75/19/553207519.db2.gz DEZCRWLJGPAHQS-DQHMDIJASA-N 0 0 505.571 4.815 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000009075954 553207507 /nfs/dbraw/zinc/20/75/07/553207507.db2.gz DEZCRWLJGPAHQS-JVEWKGNHSA-N 0 0 505.571 4.815 50 30 KJEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000009076279 553207962 /nfs/dbraw/zinc/20/79/62/553207962.db2.gz GDGQXTQKWDMPFZ-MLNTVTBVSA-N 0 0 503.580 4.975 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000009086077 553208325 /nfs/dbraw/zinc/20/83/25/553208325.db2.gz NDJGHALVERTFLG-MUUNZHRXSA-N 0 0 528.605 4.706 50 30 KJEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009086166 553208259 /nfs/dbraw/zinc/20/82/59/553208259.db2.gz RXWSLRAYSRJLBF-AREMUKBSSA-N 0 0 502.567 4.973 50 30 KJEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009086167 553208265 /nfs/dbraw/zinc/20/82/65/553208265.db2.gz RXWSLRAYSRJLBF-SANMLTNESA-N 0 0 502.567 4.973 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000009086300 553208311 /nfs/dbraw/zinc/20/83/11/553208311.db2.gz GUMOJQWQSWIKBR-GDLZYMKVSA-N 0 0 526.633 4.875 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000009086301 553208297 /nfs/dbraw/zinc/20/82/97/553208297.db2.gz GUMOJQWQSWIKBR-LJAQVGFWSA-N 0 0 526.633 4.875 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000009086315 553208586 /nfs/dbraw/zinc/20/85/86/553208586.db2.gz PDCRGGDBAKVVCZ-SANMLTNESA-N 0 0 527.061 4.984 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000009123359 553212355 /nfs/dbraw/zinc/21/23/55/553212355.db2.gz NILXTSXSARKFAH-NDEPHWFRSA-N 0 0 530.596 4.624 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009123677 553212316 /nfs/dbraw/zinc/21/23/16/553212316.db2.gz RUDXPPCLTHBFGI-RUZDIDTESA-N 0 0 527.614 4.670 50 30 biogenic KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000009123687 553212583 /nfs/dbraw/zinc/21/25/83/553212583.db2.gz NRTOAVAZKINOJL-OAQYLSRUSA-N 0 0 520.563 4.600 50 30 KJEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000009144452 553213668 /nfs/dbraw/zinc/21/36/68/553213668.db2.gz WDHSKNAHEQWZOJ-GJFKPFFXSA-N 0 0 518.038 4.592 50 30 KJEARN COc1ccc(-n2c(N/N=C/c3ccc(N(C)C)cc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000009144994 553213995 /nfs/dbraw/zinc/21/39/95/553213995.db2.gz FMQDOVCHSVHBDH-RWPZCVJISA-N 0 0 503.628 4.819 50 30 KJEARN Cc1cccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2-c2ccccc2)c1 ZINC000009159132 553215316 /nfs/dbraw/zinc/21/53/16/553215316.db2.gz ZEPLOOWGLNHLKB-NINGPYJVSA-N 0 0 506.414 4.656 50 30 KJEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000009159315 553215282 /nfs/dbraw/zinc/21/52/82/553215282.db2.gz VCXPKMQZIOACKD-OTGRTMQESA-N 0 0 509.522 4.684 50 30 KJEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000009159317 553215279 /nfs/dbraw/zinc/21/52/79/553215279.db2.gz VCXPKMQZIOACKD-HSGXLUIGSA-N 0 0 509.522 4.684 50 30 KJEARN CCCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)/c1=N\C(=O)c1ccccc1Br ZINC000009159976 553215584 /nfs/dbraw/zinc/21/55/84/553215584.db2.gz RUAUELXNVXRDCO-QUPMIFSKSA-N 0 0 504.388 4.523 50 30 KJEARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000009165697 553215670 /nfs/dbraw/zinc/21/56/70/553215670.db2.gz NXADPDOIJIXCOX-KEVKATSASA-N 0 0 508.961 4.718 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009176413 553216292 /nfs/dbraw/zinc/21/62/92/553216292.db2.gz UQBHJSVBVZVJMU-OAQYLSRUSA-N 0 0 522.579 4.737 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009179031 553216642 /nfs/dbraw/zinc/21/66/42/553216642.db2.gz VUVLRMUABCNTEV-SANMLTNESA-N 0 0 502.567 4.973 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009179036 553216654 /nfs/dbraw/zinc/21/66/54/553216654.db2.gz VUVLRMUABCNTEV-AREMUKBSSA-N 0 0 502.567 4.973 50 30 KJEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5nccs5)n42)COC(C)(C)C3)cc1 ZINC000009187000 553217784 /nfs/dbraw/zinc/21/77/84/553217784.db2.gz UDAPJXMUMXAOBJ-UHFFFAOYSA-N 0 0 505.629 4.692 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009191793 553218597 /nfs/dbraw/zinc/21/85/97/553218597.db2.gz BDIMUBMNMNRATC-AREMUKBSSA-N 0 0 506.643 4.682 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009191794 553218595 /nfs/dbraw/zinc/21/85/95/553218595.db2.gz BDIMUBMNMNRATC-SANMLTNESA-N 0 0 506.643 4.682 50 30 KJEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1OC ZINC000009192954 553218951 /nfs/dbraw/zinc/21/89/51/553218951.db2.gz DUPCFWMNHMLNEK-RUZDIDTESA-N 0 0 502.567 4.912 50 30 KJEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1OC ZINC000009192955 553218910 /nfs/dbraw/zinc/21/89/10/553218910.db2.gz DUPCFWMNHMLNEK-VWLOTQADSA-N 0 0 502.567 4.912 50 30 KJEARN COc1ccc(OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccc(OC)cc2)cc1 ZINC000009209577 553220257 /nfs/dbraw/zinc/22/02/57/553220257.db2.gz ZJVUSOIOHWHEBE-DEOSSOPVSA-N 0 0 512.566 4.888 50 30 KJEARN COc1ccc(OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccc(OC)cc2)cc1 ZINC000009209578 553220242 /nfs/dbraw/zinc/22/02/42/553220242.db2.gz ZJVUSOIOHWHEBE-XMMPIXPASA-N 0 0 512.566 4.888 50 30 KJEARN COc1ccc([C@@H]2c3c4nc(COc5ccccc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009215698 553221306 /nfs/dbraw/zinc/22/13/06/553221306.db2.gz HPJZNQMYGGAJGA-DEOSSOPVSA-N 0 0 512.566 4.888 50 30 KJEARN COc1ccc([C@H]2c3c4nc(COc5ccccc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009215700 553221360 /nfs/dbraw/zinc/22/13/60/553221360.db2.gz HPJZNQMYGGAJGA-XMMPIXPASA-N 0 0 512.566 4.888 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000009216484 553221689 /nfs/dbraw/zinc/22/16/89/553221689.db2.gz GOTRCGUECHXQTQ-DQHMDIJASA-N 0 0 505.571 4.815 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000009216485 553221671 /nfs/dbraw/zinc/22/16/71/553221671.db2.gz GOTRCGUECHXQTQ-JVEWKGNHSA-N 0 0 505.571 4.815 50 30 KJEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000009216593 553221658 /nfs/dbraw/zinc/22/16/58/553221658.db2.gz QZOGECWFPTZOSB-OJEZVBBGSA-N 0 0 519.623 4.915 50 30 KJEARN C#CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000009232862 553224069 /nfs/dbraw/zinc/22/40/69/553224069.db2.gz BXCJFFMGHUPIMM-GIJQJNRQSA-N 0 0 504.383 4.604 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc(Br)ccc1O ZINC000009235184 553225196 /nfs/dbraw/zinc/22/51/96/553225196.db2.gz KZUYTXMIFROYFZ-UHFFFAOYSA-N 0 0 504.366 4.547 50 30 KJEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1nnc(SCC(=O)c2ccccc2)n1CC=C ZINC000009235907 553225652 /nfs/dbraw/zinc/22/56/52/553225652.db2.gz UXXOKVFNZFHERZ-UHFFFAOYSA-N 0 0 516.652 4.859 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009236525 553225675 /nfs/dbraw/zinc/22/56/75/553225675.db2.gz DTKPITKXOAFWGE-HHHXNRCGSA-N 0 0 517.578 4.816 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009240564 553226022 /nfs/dbraw/zinc/22/60/22/553226022.db2.gz NNODTZLYBAXQTL-FQEVSTJZSA-N 0 0 500.780 4.968 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009242604 553226262 /nfs/dbraw/zinc/22/62/62/553226262.db2.gz 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4.736 50 30 KJEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009334373 553243085 /nfs/dbraw/zinc/24/30/85/553243085.db2.gz RIUCRDRBXJNAFP-WGGXKBPPSA-N 0 0 526.633 4.636 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009334836 553243315 /nfs/dbraw/zinc/24/33/15/553243315.db2.gz WMTLIPBUZVGJKX-HSZRJFAPSA-N 0 0 502.479 4.563 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009340005 553243835 /nfs/dbraw/zinc/24/38/35/553243835.db2.gz AVBMCKOGIAQAMV-TXTDGAROSA-N 0 0 520.670 4.736 50 30 KJEARN CCOc1ccccc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)n(-c2ccccc2)c1=O ZINC000009345186 553244039 /nfs/dbraw/zinc/24/40/39/553244039.db2.gz DNQNQHBGGVQICL-QFFZIDTCSA-N 0 0 509.631 4.563 50 30 KJEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009353470 553245491 /nfs/dbraw/zinc/24/54/91/553245491.db2.gz RIUCRDRBXJNAFP-MIOXIQPJSA-N 0 0 526.633 4.636 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009353588 553245501 /nfs/dbraw/zinc/24/55/01/553245501.db2.gz WMTLIPBUZVGJKX-QHCPKHFHSA-N 0 0 502.479 4.563 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000009354101 553245745 /nfs/dbraw/zinc/24/57/45/553245745.db2.gz HDXMEFUHWSKPFD-CLYVBNDRSA-N 0 0 529.589 4.857 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000009354107 553245705 /nfs/dbraw/zinc/24/57/05/553245705.db2.gz HDXMEFUHWSKPFD-MYUZEXMDSA-N 0 0 529.589 4.857 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000009354112 553245711 /nfs/dbraw/zinc/24/57/11/553245711.db2.gz HDXMEFUHWSKPFD-DNOBIOAJSA-N 0 0 529.589 4.857 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000009354118 553245819 /nfs/dbraw/zinc/24/58/19/553245819.db2.gz 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/nfs/dbraw/zinc/25/19/52/553251952.db2.gz YOWSSDKPCBMIIK-AREMUKBSSA-N 0 0 502.567 4.918 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009380700 553251946 /nfs/dbraw/zinc/25/19/46/553251946.db2.gz YOWSSDKPCBMIIK-SANMLTNESA-N 0 0 502.567 4.918 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000009403469 553255372 /nfs/dbraw/zinc/25/53/72/553255372.db2.gz HVUBAYKKFYWEFV-WGDIFIGCSA-N 0 0 515.562 4.814 50 30 KJEARN C=CCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)NC3=NN=C(c4ccc(C)cc4)CS3)nc21 ZINC000009409363 553257209 /nfs/dbraw/zinc/25/72/09/553257209.db2.gz BKJJDMPBDMOHAS-NRFANRHFSA-N 0 0 515.668 4.968 50 30 KJEARN C=CCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)NC3=NN=C(c4ccc(C)cc4)CS3)nc21 ZINC000009409364 553257216 /nfs/dbraw/zinc/25/72/16/553257216.db2.gz BKJJDMPBDMOHAS-OAQYLSRUSA-N 0 0 515.668 4.968 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000009424007 553258270 /nfs/dbraw/zinc/25/82/70/553258270.db2.gz VPADRANAORILGJ-HSZRJFAPSA-N 0 0 500.532 4.859 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000009424008 553258256 /nfs/dbraw/zinc/25/82/56/553258256.db2.gz VPADRANAORILGJ-QHCPKHFHSA-N 0 0 500.532 4.859 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009424779 553258861 /nfs/dbraw/zinc/25/88/61/553258861.db2.gz HDIOMRKUCKLDMF-AREMUKBSSA-N 0 0 525.598 4.650 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009425069 553259034 /nfs/dbraw/zinc/25/90/34/553259034.db2.gz HDIOMRKUCKLDMF-SANMLTNESA-N 0 0 525.598 4.650 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009425210 553259343 /nfs/dbraw/zinc/25/93/43/553259343.db2.gz NUMAXWZXACPGEW-HHHXNRCGSA-N 0 0 531.609 4.892 50 30 KJEARN C=CCn1c(CCN2C(=O)c3cccc4cccc(c43)C2=O)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000009434036 553263538 /nfs/dbraw/zinc/26/35/38/553263538.db2.gz ZJIVYHNOZFPFPU-UHFFFAOYSA-N 0 0 512.591 4.535 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009436061 553264359 /nfs/dbraw/zinc/26/43/59/553264359.db2.gz VGNJLOWKPLNZMF-AREMUKBSSA-N 0 0 502.567 4.999 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009436419 553264504 /nfs/dbraw/zinc/26/45/04/553264504.db2.gz NUMAXWZXACPGEW-MHZLTWQESA-N 0 0 531.609 4.892 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009436428 553264469 /nfs/dbraw/zinc/26/44/69/553264469.db2.gz KPRBDJRZJJGLFM-AFMDSPMNSA-N 0 0 501.583 4.664 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009436445 553264586 /nfs/dbraw/zinc/26/45/86/553264586.db2.gz KPRBDJRZJJGLFM-NIYFSFCBSA-N 0 0 501.583 4.664 50 30 KJEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009436455 553264460 /nfs/dbraw/zinc/26/44/60/553264460.db2.gz KPRBDJRZJJGLFM-BCHFMIIMSA-N 0 0 501.583 4.664 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009436797 553264573 /nfs/dbraw/zinc/26/45/73/553264573.db2.gz NSOCGRSFLRTWRW-AREMUKBSSA-N 0 0 501.535 4.644 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009436799 553264627 /nfs/dbraw/zinc/26/46/27/553264627.db2.gz NSOCGRSFLRTWRW-SANMLTNESA-N 0 0 501.535 4.644 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009437166 553264544 /nfs/dbraw/zinc/26/45/44/553264544.db2.gz AYZBXIVPRGCXJD-HHHXNRCGSA-N 0 0 531.609 4.748 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009437172 553264834 /nfs/dbraw/zinc/26/48/34/553264834.db2.gz AYZBXIVPRGCXJD-MHZLTWQESA-N 0 0 531.609 4.748 50 30 KJEARN COc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccccc5)n23)CC(C)(C)OC4)cc1 ZINC000009446764 553265726 /nfs/dbraw/zinc/26/57/26/553265726.db2.gz SSXLBIUPBINZGG-UHFFFAOYSA-N 0 0 514.611 4.935 50 30 KJEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)NCc5ccccc5)n42)COC(C)(C)C3)cc1 ZINC000009450406 553265983 /nfs/dbraw/zinc/26/59/83/553265983.db2.gz SROLZARIMOIBEF-UHFFFAOYSA-N 0 0 512.639 4.913 50 30 KJEARN COc1ccccc1NC(=O)CSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 ZINC000009451475 553265953 /nfs/dbraw/zinc/26/59/53/553265953.db2.gz CQKPIZXUUPRNHY-UHFFFAOYSA-N 0 0 514.611 4.935 50 30 KJEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009451950 553265960 /nfs/dbraw/zinc/26/59/60/553265960.db2.gz DSBBKPLQCIBUPZ-MHZLTWQESA-N 0 0 531.609 4.892 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009452545 553266080 /nfs/dbraw/zinc/26/60/80/553266080.db2.gz GNSSDHRACXDOAO-XRHLQHRESA-N 0 0 514.578 4.981 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009452549 553266111 /nfs/dbraw/zinc/26/61/11/553266111.db2.gz GNSSDHRACXDOAO-MYUZEXMDSA-N 0 0 514.578 4.981 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009452553 553266140 /nfs/dbraw/zinc/26/61/40/553266140.db2.gz GNSSDHRACXDOAO-DNOBIOAJSA-N 0 0 514.578 4.981 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009452558 553266157 /nfs/dbraw/zinc/26/61/57/553266157.db2.gz GNSSDHRACXDOAO-CLYVBNDRSA-N 0 0 514.578 4.981 50 30 KJEARN C=CCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000009455424 553266287 /nfs/dbraw/zinc/26/62/87/553266287.db2.gz WGMNFOFVHRDTOC-AWSNDJBBSA-N 0 0 521.642 4.531 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009457054 553266526 /nfs/dbraw/zinc/26/65/26/553266526.db2.gz MCIAVNNWRWJBOL-RUZDIDTESA-N 0 0 505.523 4.627 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009461221 553267550 /nfs/dbraw/zinc/26/75/50/553267550.db2.gz RXVLJRPDIHUBEG-AREMUKBSSA-N 0 0 515.562 4.585 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009461222 553267522 /nfs/dbraw/zinc/26/75/22/553267522.db2.gz RXVLJRPDIHUBEG-SANMLTNESA-N 0 0 515.562 4.585 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009461305 553267611 /nfs/dbraw/zinc/26/76/11/553267611.db2.gz GHBJYAOSNOQATM-MHZLTWQESA-N 0 0 529.589 4.975 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000009461331 553267519 /nfs/dbraw/zinc/26/75/19/553267519.db2.gz HIOQMDYBFWMGEF-HHHXNRCGSA-N 0 0 500.595 4.865 50 30 KJEARN COc1ccc(CCNC(=O)c2c(N)n(/N=C/c3c[nH]c4ccccc34)c3nc4ccccc4nc32)cc1 ZINC000009461821 553267991 /nfs/dbraw/zinc/26/79/91/553267991.db2.gz GVJYGPSSGPVKSL-ATZGPIRCSA-N 0 0 503.566 4.511 50 30 KJEARN COC(=O)[C@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 ZINC000009461897 553267940 /nfs/dbraw/zinc/26/79/40/553267940.db2.gz HOGUAOHMZSOHRS-XWDJFTLGSA-N 0 0 509.518 4.537 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009462464 553268305 /nfs/dbraw/zinc/26/83/05/553268305.db2.gz CQWNCGNCHRIIOX-RUZDIDTESA-N 0 0 502.523 4.707 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009462465 553268339 /nfs/dbraw/zinc/26/83/39/553268339.db2.gz CQWNCGNCHRIIOX-VWLOTQADSA-N 0 0 502.523 4.707 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccnc3)cc2)c1 ZINC000009462525 553268281 /nfs/dbraw/zinc/26/82/81/553268281.db2.gz NBTPMUSZWLDJEV-HHHXNRCGSA-N 0 0 508.578 4.834 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccnc3)cc2)c1 ZINC000009462527 553268347 /nfs/dbraw/zinc/26/83/47/553268347.db2.gz NBTPMUSZWLDJEV-MHZLTWQESA-N 0 0 508.578 4.834 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009462540 553268325 /nfs/dbraw/zinc/26/83/25/553268325.db2.gz LECZRXVCBZCZMK-RUZDIDTESA-N 0 0 502.523 4.707 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009462541 553268362 /nfs/dbraw/zinc/26/83/62/553268362.db2.gz LECZRXVCBZCZMK-VWLOTQADSA-N 0 0 502.523 4.707 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)ccc1O ZINC000009462724 553268501 /nfs/dbraw/zinc/26/85/01/553268501.db2.gz DHIVLPUNUAJCNS-HHHXNRCGSA-N 0 0 517.578 4.903 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)ccc1O ZINC000009462725 553268526 /nfs/dbraw/zinc/26/85/26/553268526.db2.gz DHIVLPUNUAJCNS-MHZLTWQESA-N 0 0 517.578 4.903 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000009462948 553268673 /nfs/dbraw/zinc/26/86/73/553268673.db2.gz XMYBPXBBYTWKRQ-HHHXNRCGSA-N 0 0 517.578 4.903 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009462949 553268683 /nfs/dbraw/zinc/26/86/83/553268683.db2.gz XMYBPXBBYTWKRQ-MHZLTWQESA-N 0 0 517.578 4.903 50 30 KJEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000009463128 553268704 /nfs/dbraw/zinc/26/87/04/553268704.db2.gz PELQIGWSKBQWFD-QHCPKHFHSA-N 0 0 506.352 4.999 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000009463424 553268901 /nfs/dbraw/zinc/26/89/01/553268901.db2.gz HQPMBCKPNDGEHI-HSZRJFAPSA-N 0 0 516.531 4.565 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000009463427 553268926 /nfs/dbraw/zinc/26/89/26/553268926.db2.gz HQPMBCKPNDGEHI-QHCPKHFHSA-N 0 0 516.531 4.565 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009463529 553269096 /nfs/dbraw/zinc/26/90/96/553269096.db2.gz JRFLEBNDGNGLDL-HHHXNRCGSA-N 0 0 517.578 4.816 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009463531 553269161 /nfs/dbraw/zinc/26/91/61/553269161.db2.gz JRFLEBNDGNGLDL-MHZLTWQESA-N 0 0 517.578 4.816 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000009463532 553269113 /nfs/dbraw/zinc/26/91/13/553269113.db2.gz BTVMSJWSJICNQL-HHHXNRCGSA-N 0 0 515.562 4.652 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009463615 553269124 /nfs/dbraw/zinc/26/91/24/553269124.db2.gz ZSXDKDYHMLGQLL-AREMUKBSSA-N 0 0 525.598 4.506 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009463617 553269165 /nfs/dbraw/zinc/26/91/65/553269165.db2.gz ZSXDKDYHMLGQLL-SANMLTNESA-N 0 0 525.598 4.506 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009464168 553269325 /nfs/dbraw/zinc/26/93/25/553269325.db2.gz HIOQMDYBFWMGEF-MHZLTWQESA-N 0 0 500.595 4.865 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccncc3)cc2)c1 ZINC000009464173 553269402 /nfs/dbraw/zinc/26/94/02/553269402.db2.gz IKKWAQHFGJWOOK-HHHXNRCGSA-N 0 0 508.578 4.834 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccncc3)cc2)c1 ZINC000009464182 553269388 /nfs/dbraw/zinc/26/93/88/553269388.db2.gz IKKWAQHFGJWOOK-MHZLTWQESA-N 0 0 508.578 4.834 50 30 KJEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000009464663 553269301 /nfs/dbraw/zinc/26/93/01/553269301.db2.gz PELQIGWSKBQWFD-HSZRJFAPSA-N 0 0 506.352 4.999 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009464745 553269295 /nfs/dbraw/zinc/26/92/95/553269295.db2.gz BTVMSJWSJICNQL-MHZLTWQESA-N 0 0 515.562 4.652 50 30 KJEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009464977 553269504 /nfs/dbraw/zinc/26/95/04/553269504.db2.gz NNCXLKFSAJQMJM-AREMUKBSSA-N 0 0 500.551 4.810 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009464980 553269475 /nfs/dbraw/zinc/26/94/75/553269475.db2.gz NNCXLKFSAJQMJM-SANMLTNESA-N 0 0 500.551 4.810 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2OC)c(OC)c1 ZINC000009465008 553269557 /nfs/dbraw/zinc/26/95/57/553269557.db2.gz GCJMFOMJIWVOBM-OVVQPSECSA-N 0 0 514.603 4.660 50 30 KJEARN Cc1cccc(N2CCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)NCCc3ccccc3)CC2)c1C ZINC000009465229 553269524 /nfs/dbraw/zinc/26/95/24/553269524.db2.gz SSQYZIDLFIPCGM-RUZDIDTESA-N 0 0 504.638 4.539 50 30 KJEARN Cc1cccc(N2CCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)NCCc3ccccc3)CC2)c1C ZINC000009465230 553269547 /nfs/dbraw/zinc/26/95/47/553269547.db2.gz SSQYZIDLFIPCGM-VWLOTQADSA-N 0 0 504.638 4.539 50 30 KJEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Br)c1 ZINC000009470705 553269705 /nfs/dbraw/zinc/26/97/05/553269705.db2.gz KRDFIWZJIWKJMB-HSZRJFAPSA-N 0 0 506.352 4.999 50 30 KJEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Br)c1 ZINC000009470707 553269741 /nfs/dbraw/zinc/26/97/41/553269741.db2.gz KRDFIWZJIWKJMB-QHCPKHFHSA-N 0 0 506.352 4.999 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000009470849 553269765 /nfs/dbraw/zinc/26/97/65/553269765.db2.gz UHQDZNMBNQXKHE-AREMUKBSSA-N 0 0 525.598 4.650 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000009470850 553269799 /nfs/dbraw/zinc/26/97/99/553269799.db2.gz UHQDZNMBNQXKHE-SANMLTNESA-N 0 0 525.598 4.650 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009471047 553269794 /nfs/dbraw/zinc/26/97/94/553269794.db2.gz MCIAVNNWRWJBOL-VWLOTQADSA-N 0 0 505.523 4.627 50 30 KJEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000009471281 553269803 /nfs/dbraw/zinc/26/98/03/553269803.db2.gz CRTJOMSIWVDTCB-JOCHJYFZSA-N 0 0 520.563 4.607 50 30 KJEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000009471282 553269778 /nfs/dbraw/zinc/26/97/78/553269778.db2.gz CRTJOMSIWVDTCB-QFIPXVFZSA-N 0 0 520.563 4.607 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009471285 553269718 /nfs/dbraw/zinc/26/97/18/553269718.db2.gz CAWROMRZWZZTPP-HHHXNRCGSA-N 0 0 515.562 4.686 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009471286 553269775 /nfs/dbraw/zinc/26/97/75/553269775.db2.gz CAWROMRZWZZTPP-MHZLTWQESA-N 0 0 515.562 4.686 50 30 KJEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000009473440 553271067 /nfs/dbraw/zinc/27/10/67/553271067.db2.gz HODYHOXQBLIXPU-VUNKPPBISA-N 0 0 516.667 4.662 50 30 KJEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000009473443 553271059 /nfs/dbraw/zinc/27/10/59/553271059.db2.gz HODYHOXQBLIXPU-SLXFGWRHSA-N 0 0 516.667 4.662 50 30 KJEARN COc1cccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccccc5)n23)CC(C)(C)OC4)c1 ZINC000009487081 553272929 /nfs/dbraw/zinc/27/29/29/553272929.db2.gz LUNGXZKLESKLGP-UHFFFAOYSA-N 0 0 514.611 4.935 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1OC ZINC000009497293 553274610 /nfs/dbraw/zinc/27/46/10/553274610.db2.gz HKCLXVPCLLCEBS-JOCHJYFZSA-N 0 0 503.437 4.837 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1OC ZINC000009504128 553275355 /nfs/dbraw/zinc/27/53/55/553275355.db2.gz HKCLXVPCLLCEBS-QFIPXVFZSA-N 0 0 503.437 4.837 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009507115 553275972 /nfs/dbraw/zinc/27/59/72/553275972.db2.gz GHBJYAOSNOQATM-HHHXNRCGSA-N 0 0 529.589 4.975 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000009507269 553276011 /nfs/dbraw/zinc/27/60/11/553276011.db2.gz QSXJMIXBOCVTKC-AREMUKBSSA-N 0 0 503.551 4.513 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009507270 553275947 /nfs/dbraw/zinc/27/59/47/553275947.db2.gz QSXJMIXBOCVTKC-SANMLTNESA-N 0 0 503.551 4.513 50 30 KJEARN COc1ccc(C(O)(C#CC(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009514289 553276327 /nfs/dbraw/zinc/27/63/27/553276327.db2.gz QFUCKNVQLUGKDG-UHFFFAOYSA-N 0 0 510.586 4.896 50 30 KJEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009540999 553277943 /nfs/dbraw/zinc/27/79/43/553277943.db2.gz GLSWNPUBEKPKGT-AREMUKBSSA-N 0 0 500.551 4.810 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009541001 553277998 /nfs/dbraw/zinc/27/79/98/553277998.db2.gz GLSWNPUBEKPKGT-SANMLTNESA-N 0 0 500.551 4.810 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000009553984 553278772 /nfs/dbraw/zinc/27/87/72/553278772.db2.gz RLTLVEPBOCPTCH-MMTVBGGISA-N 0 0 529.589 4.661 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000009553985 553278749 /nfs/dbraw/zinc/27/87/49/553278749.db2.gz RLTLVEPBOCPTCH-WTYVLRPYSA-N 0 0 529.589 4.661 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000009553986 553278781 /nfs/dbraw/zinc/27/87/81/553278781.db2.gz RLTLVEPBOCPTCH-NGOKVRLYSA-N 0 0 529.589 4.661 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000009553987 553278747 /nfs/dbraw/zinc/27/87/47/553278747.db2.gz RLTLVEPBOCPTCH-PIIWDFAUSA-N 0 0 529.589 4.661 50 30 KJEARN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc(Br)c1O ZINC000009560073 553280093 /nfs/dbraw/zinc/28/00/93/553280093.db2.gz UPSCYDYYAYVLDK-PBHICJAKSA-N 0 0 516.388 4.575 50 30 KJEARN CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc(Br)c1O ZINC000009560074 553280069 /nfs/dbraw/zinc/28/00/69/553280069.db2.gz UPSCYDYYAYVLDK-RHSMWYFYSA-N 0 0 516.388 4.575 50 30 KJEARN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc(Br)c1O ZINC000009560075 553280097 /nfs/dbraw/zinc/28/00/97/553280097.db2.gz UPSCYDYYAYVLDK-YOEHRIQHSA-N 0 0 516.388 4.575 50 30 KJEARN CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc(Br)c1O ZINC000009560076 553280383 /nfs/dbraw/zinc/28/03/83/553280383.db2.gz UPSCYDYYAYVLDK-WMLDXEAASA-N 0 0 516.388 4.575 50 30 KJEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)cc2)cc1 ZINC000009584095 553282398 /nfs/dbraw/zinc/28/23/98/553282398.db2.gz WZAUQAVYOJPYFF-HSGXLUIGSA-N 0 0 509.522 4.684 50 30 KJEARN COCCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OC)S/C1=N\c1ccccc1 ZINC000009720636 553300765 /nfs/dbraw/zinc/30/07/65/553300765.db2.gz WWVSYHFWZRURDS-WBUAKJRLSA-N 0 0 519.417 4.641 50 30 KJEARN C=CCn1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009731304 553302622 /nfs/dbraw/zinc/30/26/22/553302622.db2.gz JKUIHEYNGAWBNB-QFIPXVFZSA-N 0 0 521.683 4.503 50 30 KJEARN C=CCn1cc(C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009731305 553302629 /nfs/dbraw/zinc/30/26/29/553302629.db2.gz JKUIHEYNGAWBNB-JOCHJYFZSA-N 0 0 521.683 4.503 50 30 KJEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(OC)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009763507 553303427 /nfs/dbraw/zinc/30/34/27/553303427.db2.gz AOYVWXRTKZUBRO-MLNTVTBVSA-N 0 0 505.596 4.873 50 30 KJEARN COc1ccc(NC(=O)c2ccc3c(c2)nc(SCC#N)n(CCc2ccccc2)c3=O)cc1OC ZINC000009775375 553303937 /nfs/dbraw/zinc/30/39/37/553303937.db2.gz BRICVGOHZWWNTB-UHFFFAOYSA-N 0 0 500.580 4.524 50 30 KJEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000009777509 553306783 /nfs/dbraw/zinc/30/67/83/553306783.db2.gz VPBYLJYPBBLPFK-PNJMJVHGSA-N 0 0 507.543 4.724 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S/C(=C/C(=O)OC)C(=O)N2CCc2ccc(OCC)c(OCC)c2)cc1 ZINC000009850926 553313033 /nfs/dbraw/zinc/31/30/33/553313033.db2.gz WLTOEQJRRWDBGY-XYQHQJSRSA-N 0 0 526.611 4.523 50 30 KJEARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009851526 553313174 /nfs/dbraw/zinc/31/31/74/553313174.db2.gz YABLRKQBGSQKID-HZVWYJMBSA-N 0 0 505.596 4.873 50 30 KJEARN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009851527 553313183 /nfs/dbraw/zinc/31/31/83/553313183.db2.gz YABLRKQBGSQKID-MLNTVTBVSA-N 0 0 505.596 4.873 50 30 KJEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861214 553314155 /nfs/dbraw/zinc/31/41/55/553314155.db2.gz SACRSNAQAOKSGI-QFIPXVFZSA-N 0 0 510.388 4.816 50 30 KJEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861215 553314169 /nfs/dbraw/zinc/31/41/69/553314169.db2.gz SACRSNAQAOKSGI-JOCHJYFZSA-N 0 0 510.388 4.816 50 30 KJEARN COc1ccc(C/N=C2/S/C(=C/C(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009892269 553314791 /nfs/dbraw/zinc/31/47/91/553314791.db2.gz AYJJLMHRZIZFED-CSBWODFHSA-N 0 0 505.571 4.997 50 30 KJEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1O ZINC000009968645 553321717 /nfs/dbraw/zinc/32/17/17/553321717.db2.gz VOJBLYMMHSKJRG-DRAMBROLSA-N 0 0 501.377 4.784 50 30 KJEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc(Br)c1O ZINC000009968647 553321752 /nfs/dbraw/zinc/32/17/52/553321752.db2.gz VOJBLYMMHSKJRG-SIJSFFJVSA-N 0 0 501.377 4.784 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000009985774 553323622 /nfs/dbraw/zinc/32/36/22/553323622.db2.gz JXWJBPDULVOJNO-LZJCXSABSA-N 0 0 509.624 4.936 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000009985790 553323633 /nfs/dbraw/zinc/32/36/33/553323633.db2.gz JXWJBPDULVOJNO-UYXZNNOOSA-N 0 0 509.624 4.936 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000009985968 553323652 /nfs/dbraw/zinc/32/36/52/553323652.db2.gz APBREFYEASYCOL-GKVSMKOHSA-N 0 0 505.592 4.714 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000009985974 553323641 /nfs/dbraw/zinc/32/36/41/553323641.db2.gz APBREFYEASYCOL-SSOJOUAXSA-N 0 0 505.592 4.714 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000009985978 553323636 /nfs/dbraw/zinc/32/36/36/553323636.db2.gz APBREFYEASYCOL-NSYGIPOTSA-N 0 0 505.592 4.714 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000009985986 553323598 /nfs/dbraw/zinc/32/35/98/553323598.db2.gz APBREFYEASYCOL-CRICUBBOSA-N 0 0 505.592 4.714 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)cc1 ZINC000009993431 553323949 /nfs/dbraw/zinc/32/39/49/553323949.db2.gz YNTZOIIVAZIPHB-HDYLNDSGSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)cc1 ZINC000009993434 553323961 /nfs/dbraw/zinc/32/39/61/553323961.db2.gz YNTZOIIVAZIPHB-DNRSQYFGSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000009993438 553323968 /nfs/dbraw/zinc/32/39/68/553323968.db2.gz UZRYBMUHEOUWNY-HDYLNDSGSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000009993441 553323987 /nfs/dbraw/zinc/32/39/87/553323987.db2.gz UZRYBMUHEOUWNY-DNRSQYFGSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000009993444 553323943 /nfs/dbraw/zinc/32/39/43/553323943.db2.gz JHRKSTMZCHJQHD-FTBPSBKWSA-N 0 0 507.558 4.548 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000009993448 553323945 /nfs/dbraw/zinc/32/39/45/553323945.db2.gz JHRKSTMZCHJQHD-NQHRYMMQSA-N 0 0 507.558 4.548 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1sccc1C ZINC000009993460 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553324082 /nfs/dbraw/zinc/32/40/82/553324082.db2.gz GAMIIYPZMFXFCJ-MHZLTWQESA-N 0 0 520.670 4.992 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993777 553324097 /nfs/dbraw/zinc/32/40/97/553324097.db2.gz QXRWQXGSRNKYRN-HHHXNRCGSA-N 0 0 506.643 4.818 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993779 553324185 /nfs/dbraw/zinc/32/41/85/553324185.db2.gz QXRWQXGSRNKYRN-MHZLTWQESA-N 0 0 506.643 4.818 50 30 KJEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009993816 553324172 /nfs/dbraw/zinc/32/41/72/553324172.db2.gz KOGFHBUHIPHIRC-MUUNZHRXSA-N 0 0 534.653 4.649 50 30 KJEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009993818 553324118 /nfs/dbraw/zinc/32/41/18/553324118.db2.gz KOGFHBUHIPHIRC-NDEPHWFRSA-N 0 0 534.653 4.649 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000009993841 553324417 /nfs/dbraw/zinc/32/44/17/553324417.db2.gz OKEPCYVLAAIEMY-RUZDIDTESA-N 0 0 513.034 4.738 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009993844 553324371 /nfs/dbraw/zinc/32/43/71/553324371.db2.gz OKEPCYVLAAIEMY-VWLOTQADSA-N 0 0 513.034 4.738 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009993932 553324360 /nfs/dbraw/zinc/32/43/60/553324360.db2.gz XPDODXYHLGSKFG-AREMUKBSSA-N 0 0 502.567 4.975 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009993933 553324447 /nfs/dbraw/zinc/32/44/47/553324447.db2.gz XPDODXYHLGSKFG-SANMLTNESA-N 0 0 502.567 4.975 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009994023 553324455 /nfs/dbraw/zinc/32/44/55/553324455.db2.gz QNTYXAFHWURUSF-HHHXNRCGSA-N 0 0 504.627 4.594 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009994025 553324444 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/nfs/dbraw/zinc/33/87/98/553338798.db2.gz RQWDZYCRPCLEQE-ANYBSYGZSA-N 0 0 582.591 4.616 50 30 KJEARN C=C/C=C\C=C(\Br)CC(=O)/N=c1\c(C#N)cc2c(nc3c(C)cccn3c2=O)n1CCCCC ZINC000011690802 553340237 /nfs/dbraw/zinc/34/02/37/553340237.db2.gz NYCITMOQASSNCF-AUWGSTTJSA-N 0 0 520.431 4.858 50 30 KJEARN C=C(Cl)CSc1nnc(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1-c1ccc(OC)cc1 ZINC000011787040 553342782 /nfs/dbraw/zinc/34/27/82/553342782.db2.gz GBZKZPSRKMSXEK-UHFFFAOYSA-N 0 0 548.996 4.540 50 30 KJEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000011852359 553344788 /nfs/dbraw/zinc/34/47/88/553344788.db2.gz FEVHJKUPJKPRGI-UHFFFAOYSA-N 0 0 507.593 4.532 50 30 KJEARN CSc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(CCC#N)CCC#N)cc4)sc3c2s1 ZINC000011852821 553345873 /nfs/dbraw/zinc/34/58/73/553345873.db2.gz JSMRZXJJKBFWGH-UHFFFAOYSA-N 0 0 542.693 4.698 50 30 KJEARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O ZINC000011866191 553346746 /nfs/dbraw/zinc/34/67/46/553346746.db2.gz OIZPSMUSQTWBQZ-MTJSOVHGSA-N 0 0 506.507 4.873 50 30 biogenic KJEARN C=CCn1c(SCC(=O)c2ccc3c(c2)N(C)C(=O)CO3)nc2scc(-c3ccccc3)c2c1=O ZINC000011903480 553348576 /nfs/dbraw/zinc/34/85/76/553348576.db2.gz BTHKAEHWIKUILL-UHFFFAOYSA-N 0 0 503.605 4.641 50 30 KJEARN CCOc1cc(N2C=C(O)C(c3nc4ccc(C)cc4[nH]3)C2=N)c(OCC)cc1NC(=O)c1ccccc1 ZINC000011990633 553349972 /nfs/dbraw/zinc/34/99/72/553349972.db2.gz BTKSYQZQQFHQPV-UHFFFAOYSA-N 0 0 511.582 4.638 50 30 KJEARN C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000012137193 553351862 /nfs/dbraw/zinc/35/18/62/553351862.db2.gz AYDIZERNNSSXBX-UHFFFAOYSA-N 0 0 501.402 4.598 50 30 KJEARN C=CCOc1ccccc1CN1C[C@H](Sc2ccc(OC)cc2)C[C@H]1C(=O)NCc1cn2ccccc2n1 ZINC000012246534 553355115 /nfs/dbraw/zinc/35/51/15/553355115.db2.gz GHCUKYINNIGJIS-SXOMAYOGSA-N 0 0 528.678 4.959 50 30 KJEARN Cc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccccc3OC(C)C)c(=O)n2-c2ccc(C)c(C)c2)cc1 ZINC000012273821 553355944 /nfs/dbraw/zinc/35/59/44/553355944.db2.gz IEQWOEJTWPMJQR-QPVKGUELSA-N 0 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N#C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000012311658 553357513 /nfs/dbraw/zinc/35/75/13/553357513.db2.gz UZBSRGUPVDNRLT-XMMPIXPASA-N 0 0 519.605 4.741 50 30 KJEARN N#Cc1ccc(OCC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 ZINC000012312103 553358108 /nfs/dbraw/zinc/35/81/08/553358108.db2.gz XDBITAKWLRGWRO-QFIPXVFZSA-N 0 0 510.300 4.531 50 30 KJEARN N#Cc1ccc(OCC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 ZINC000012312104 553358119 /nfs/dbraw/zinc/35/81/19/553358119.db2.gz XDBITAKWLRGWRO-JOCHJYFZSA-N 0 0 510.300 4.531 50 30 KJEARN Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)nc2ccccc2c1=O ZINC000012312240 553358100 /nfs/dbraw/zinc/35/81/00/553358100.db2.gz SFQOJESQKTXLJC-UHFFFAOYSA-N 0 0 505.943 4.858 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(Br)s2)cc1OC ZINC000012349563 553358864 /nfs/dbraw/zinc/35/88/64/553358864.db2.gz ZLSGQPUNJIQDIP-WLRWDXFRSA-N 0 0 502.390 4.915 50 30 KJEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000012384022 553362193 /nfs/dbraw/zinc/36/21/93/553362193.db2.gz VGUMSFCMBHYRHL-AWEZNQCLSA-N 0 0 513.048 4.949 50 30 KJEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000012384023 553362231 /nfs/dbraw/zinc/36/22/31/553362231.db2.gz VGUMSFCMBHYRHL-CQSZACIVSA-N 0 0 513.048 4.949 50 30 KJEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccc(F)cc1 ZINC000012384024 553362168 /nfs/dbraw/zinc/36/21/68/553362168.db2.gz INZRFVUHNFBJHO-AWEZNQCLSA-N 0 0 503.397 4.832 50 30 KJEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccc(F)cc1 ZINC000012384025 553362443 /nfs/dbraw/zinc/36/24/43/553362443.db2.gz INZRFVUHNFBJHO-CQSZACIVSA-N 0 0 503.397 4.832 50 30 KJEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N([C@@H](C)c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012401900 553362612 /nfs/dbraw/zinc/36/26/12/553362612.db2.gz HVWXPQBHCRXHHU-YHAMSUFESA-N 0 0 500.517 4.973 50 30 KJEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N([C@H](C)c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012401901 553362552 /nfs/dbraw/zinc/36/25/52/553362552.db2.gz HVWXPQBHCRXHHU-AKJBCIBTSA-N 0 0 500.517 4.973 50 30 KJEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H](C)c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012401902 553362584 /nfs/dbraw/zinc/36/25/84/553362584.db2.gz HVWXPQBHCRXHHU-QMTYFTJSSA-N 0 0 500.517 4.973 50 30 KJEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@H](C)c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012401903 553362541 /nfs/dbraw/zinc/36/25/41/553362541.db2.gz HVWXPQBHCRXHHU-DXPJPUQTSA-N 0 0 500.517 4.973 50 30 KJEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2C[C@@H]1CCCO1 ZINC000012402177 553362802 /nfs/dbraw/zinc/36/28/02/553362802.db2.gz KOLYEJCFQKMHGH-WHEQGISXSA-N 0 0 519.347 4.689 50 30 KJEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2C[C@@H]1CCCO1 ZINC000012402178 553362822 /nfs/dbraw/zinc/36/28/22/553362822.db2.gz KOLYEJCFQKMHGH-XMHCIUCPSA-N 0 0 519.347 4.689 50 30 KJEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2C[C@H]1CCCO1 ZINC000012402179 553362820 /nfs/dbraw/zinc/36/28/20/553362820.db2.gz KOLYEJCFQKMHGH-MCMMXHMISA-N 0 0 519.347 4.689 50 30 KJEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2C[C@H]1CCCO1 ZINC000012402180 553362800 /nfs/dbraw/zinc/36/28/00/553362800.db2.gz KOLYEJCFQKMHGH-DMZKTXOQSA-N 0 0 519.347 4.689 50 30 KJEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1C[C@@H]1CCCO1 ZINC000012402688 553362805 /nfs/dbraw/zinc/36/28/05/553362805.db2.gz VAMPVVQKFHIBHU-YADARESESA-N 0 0 506.908 4.549 50 30 KJEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1C[C@@H]1CCCO1 ZINC000012402689 553362814 /nfs/dbraw/zinc/36/28/14/553362814.db2.gz VAMPVVQKFHIBHU-CYFREDJKSA-N 0 0 506.908 4.549 50 30 KJEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1C[C@H]1CCCO1 ZINC000012402690 553362818 /nfs/dbraw/zinc/36/28/18/553362818.db2.gz VAMPVVQKFHIBHU-NTKDMRAZSA-N 0 0 506.908 4.549 50 30 KJEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1C[C@H]1CCCO1 ZINC000012402691 553362811 /nfs/dbraw/zinc/36/28/11/553362811.db2.gz VAMPVVQKFHIBHU-DVECYGJZSA-N 0 0 506.908 4.549 50 30 KJEARN COc1cccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccccc3)C(C)=C2C(=O)c2ccccc2)c1 ZINC000012402704 553362979 /nfs/dbraw/zinc/36/29/79/553362979.db2.gz YOPGIUTXTLPMSJ-MUUNZHRXSA-N 0 0 522.523 4.968 50 30 KJEARN COc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CCc3ccccc3)C(C)=C2C(=O)c2ccccc2)c1 ZINC000012402705 553362929 /nfs/dbraw/zinc/36/29/29/553362929.db2.gz YOPGIUTXTLPMSJ-NDEPHWFRSA-N 0 0 522.523 4.968 50 30 KJEARN COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)C(=O)N(CCc2ccccc2)C(C)=C1C(=O)c1ccccc1 ZINC000012402708 553362983 /nfs/dbraw/zinc/36/29/83/553362983.db2.gz DWQQQFQNAPEBOJ-MUUNZHRXSA-N 0 0 522.523 4.968 50 30 KJEARN COc1ccccc1C(=O)N[C@]1(C(F)(F)F)C(=O)N(CCc2ccccc2)C(C)=C1C(=O)c1ccccc1 ZINC000012402709 553362884 /nfs/dbraw/zinc/36/28/84/553362884.db2.gz DWQQQFQNAPEBOJ-NDEPHWFRSA-N 0 0 522.523 4.968 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2C)cc1 ZINC000012410923 553363141 /nfs/dbraw/zinc/36/31/41/553363141.db2.gz HBLOMMKPWDIBKZ-IDICYNCBSA-N 0 0 511.934 4.621 50 30 KJEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](c2cccs2)C3)cc1 ZINC000012411732 553363574 /nfs/dbraw/zinc/36/35/74/553363574.db2.gz RCBZZVRCAVLPNA-FOVJLYNBSA-N 0 0 508.640 4.528 50 30 KJEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](c2cccs2)C3)cc1 ZINC000012411735 553363538 /nfs/dbraw/zinc/36/35/38/553363538.db2.gz RCBZZVRCAVLPNA-IEXUWNMDSA-N 0 0 508.640 4.528 50 30 KJEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000012412082 553363799 /nfs/dbraw/zinc/36/37/99/553363799.db2.gz DRMZSSVRQQCWTF-BZIHZDCZSA-N 0 0 511.934 4.621 50 30 KJEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000012412083 553363776 /nfs/dbraw/zinc/36/37/76/553363776.db2.gz DRMZSSVRQQCWTF-IDICYNCBSA-N 0 0 511.934 4.621 50 30 KJEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412132 553363754 /nfs/dbraw/zinc/36/37/54/553363754.db2.gz GSVIHVBCXZSUID-UHFFFAOYSA-N 0 0 521.458 4.875 50 30 KJEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412134 553363746 /nfs/dbraw/zinc/36/37/46/553363746.db2.gz PBLJYMCXDLJVIC-UHFFFAOYSA-N 0 0 507.431 4.566 50 30 KJEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2cccs2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412138 553363813 /nfs/dbraw/zinc/36/38/13/553363813.db2.gz AOEXFLQIIKDZHK-UHFFFAOYSA-N 0 0 513.460 4.628 50 30 KJEARN CCOC(=O)c1c(NC(=O)COS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)sc2c1CCCC2 ZINC000012413864 553364699 /nfs/dbraw/zinc/36/46/99/553364699.db2.gz HPWDOYWXEDSRRC-UHFFFAOYSA-N 0 0 509.646 4.588 50 30 KJEARN COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000012416428 553365036 /nfs/dbraw/zinc/36/50/36/553365036.db2.gz UGEFJEZXFRZTQH-QHCPKHFHSA-N 0 0 520.607 4.749 50 30 KJEARN NC1=C(C(=O)Nc2nccs2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1c1ccc(F)cc1 ZINC000012428884 553366250 /nfs/dbraw/zinc/36/62/50/553366250.db2.gz JDHQCNRNZRWRBD-HXUWFJFHSA-N 0 0 505.531 4.610 50 30 KJEARN NC1=C(C(=O)Nc2nccs2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1c1ccc(F)cc1 ZINC000012428885 553366232 /nfs/dbraw/zinc/36/62/32/553366232.db2.gz JDHQCNRNZRWRBD-FQEVSTJZSA-N 0 0 505.531 4.610 50 30 KJEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccc(OC)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000012469803 553368145 /nfs/dbraw/zinc/36/81/45/553368145.db2.gz AOYVWXRTKZUBRO-HZVWYJMBSA-N 0 0 505.596 4.873 50 30 KJEARN Cc1c2c(c(C)n1-c1ccccc1)[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(CCC#N)N=C2 ZINC000012524255 553383321 /nfs/dbraw/zinc/38/33/21/553383321.db2.gz HMBJWVJAARLQSF-QNGWXLTQSA-N 0 0 517.530 4.886 50 30 KJEARN Cc1c2c(c(C)n1-c1ccccc1)[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(CCC#N)N=C2 ZINC000012524256 553383377 /nfs/dbraw/zinc/38/33/77/553383377.db2.gz HMBJWVJAARLQSF-DIPNUNPCSA-N 0 0 517.530 4.886 50 30 KJEARN O=C(CON=C1c2ccccc2-c2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012528717 553384655 /nfs/dbraw/zinc/38/46/55/553384655.db2.gz QZMZUHIROPWDPL-UHFFFAOYSA-N 0 0 510.015 4.903 50 30 KJEARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCS/C3=N\[C@H](C)c3ccccc3)cc2)cc1 ZINC000012532901 553386975 /nfs/dbraw/zinc/38/69/75/553386975.db2.gz VHSDMGYENXNUDL-MABPWNACSA-N 0 0 523.680 4.892 50 30 KJEARN CC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)(N(Cc2ccc(C)cc2)C(=O)c2ccc(C#N)cc2)CC1 ZINC000012533326 553387404 /nfs/dbraw/zinc/38/74/04/553387404.db2.gz DGLICECBNGPDST-UHFFFAOYSA-N 0 0 512.585 4.668 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2sc3c(c2c1=O)CCCCC3 ZINC000012542079 553389997 /nfs/dbraw/zinc/38/99/97/553389997.db2.gz QEVBKPSAEPVBSD-UHFFFAOYSA-N 0 0 514.629 4.869 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2scc(-c3ccco3)c2c1=O ZINC000012542378 553390534 /nfs/dbraw/zinc/39/05/34/553390534.db2.gz HKISLRGSNFAAJC-UHFFFAOYSA-N 0 0 512.569 4.860 50 30 KJEARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCCCN4)c3)cc12 ZINC000012561212 553394578 /nfs/dbraw/zinc/39/45/78/553394578.db2.gz VHAYVTIKRQWCIW-UHFFFAOYSA-N 0 0 507.641 4.899 50 30 KJEARN C=CCN(CC=C)C(=O)CC1(CC(=O)N(CC=C)CC=C)c2ccccc2C(=O)N(c2ccccc2C)C1=O ZINC000012565295 553396655 /nfs/dbraw/zinc/39/66/55/553396655.db2.gz CGFCECCYPMPFSN-UHFFFAOYSA-N 0 0 525.649 4.601 50 30 KJEARN C=CCn1c(SCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)nnc1-c1ccc(Cl)cc1 ZINC000012567164 553397528 /nfs/dbraw/zinc/39/75/28/553397528.db2.gz BHIQJBGPUGCVCC-UHFFFAOYSA-N 0 0 517.080 4.697 50 30 KJEARN Cc1csc([C@H](C#N)C(=O)CSC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)n1 ZINC000012568150 553397720 /nfs/dbraw/zinc/39/77/20/553397720.db2.gz UNOZVVIIUFNRGT-HMQAPQJSSA-N 0 0 516.604 4.842 50 30 KJEARN Cc1csc([C@@H](C#N)C(=O)CSC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)n1 ZINC000012568151 553397692 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/nfs/dbraw/zinc/46/94/62/553469462.db2.gz LECDBSRUZYXXLH-SANMLTNESA-N 0 0 506.643 4.602 50 30 KJEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000013552483 553470712 /nfs/dbraw/zinc/47/07/12/553470712.db2.gz UVGNFTMSKMYSBQ-UBUZMBAGSA-N 0 0 508.987 4.654 50 30 KJEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000013552485 553470681 /nfs/dbraw/zinc/47/06/81/553470681.db2.gz UVGNFTMSKMYSBQ-SFYCHCKNSA-N 0 0 508.987 4.654 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000013552610 553470971 /nfs/dbraw/zinc/47/09/71/553470971.db2.gz YJYMGHCVYZJIHE-DQHMDIJASA-N 0 0 521.570 4.781 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000013552611 553470964 /nfs/dbraw/zinc/47/09/64/553470964.db2.gz YJYMGHCVYZJIHE-JVEWKGNHSA-N 0 0 521.570 4.781 50 30 KJEARN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000013552873 553470902 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O=C([O-])c1ccc(NC(=[NH+]CCc2ccccc2)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000015782773 553536380 /nfs/dbraw/zinc/53/63/80/553536380.db2.gz PESNSNVQVZYYDA-UHFFFAOYSA-N 0 0 507.034 4.555 50 30 KJEARN O=C([O-])c1cccc(NC(=[NH+]CCc2ccccc2)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000015786627 553536799 /nfs/dbraw/zinc/53/67/99/553536799.db2.gz FHDOAAHZMDGDAC-UHFFFAOYSA-N 0 0 507.034 4.555 50 30 KJEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCC2=CCCCC2)c1 ZINC000015911328 553541142 /nfs/dbraw/zinc/54/11/42/553541142.db2.gz OFNHVALCQUKZOO-UHFFFAOYSA-N 0 0 517.047 4.885 50 30 KJEARN O=C(/C=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccc(Br)cc1 ZINC000015911559 553541200 /nfs/dbraw/zinc/54/12/00/553541200.db2.gz ZASPZWBSFANZPC-YRNVUSSQSA-N 0 0 502.386 4.626 50 30 KJEARN Cc1cc(Br)ccc1SCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000015913499 553542097 /nfs/dbraw/zinc/54/20/97/553542097.db2.gz YRRIFENPTIYZHF-UHFFFAOYSA-N 0 0 510.479 4.739 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000015924622 553542190 /nfs/dbraw/zinc/54/21/90/553542190.db2.gz ZADSAMSVNZVBMY-PPHZAIPVSA-N 0 0 531.609 4.673 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000015924624 553542242 /nfs/dbraw/zinc/54/22/42/553542242.db2.gz ZADSAMSVNZVBMY-UZTOHYMASA-N 0 0 531.609 4.673 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000015924626 553542207 /nfs/dbraw/zinc/54/22/07/553542207.db2.gz ZADSAMSVNZVBMY-WINIVTDRSA-N 0 0 531.609 4.673 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000015924627 553542273 /nfs/dbraw/zinc/54/22/73/553542273.db2.gz ZADSAMSVNZVBMY-XHCCPWGMSA-N 0 0 531.609 4.673 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934760 553542530 /nfs/dbraw/zinc/54/25/30/553542530.db2.gz GOEPSUOOWMGHMI-WAIKUNEKSA-N 0 0 522.399 4.638 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934761 553542632 /nfs/dbraw/zinc/54/26/32/553542632.db2.gz GOEPSUOOWMGHMI-QMHKHESXSA-N 0 0 522.399 4.638 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934762 553542546 /nfs/dbraw/zinc/54/25/46/553542546.db2.gz GOEPSUOOWMGHMI-MWTRTKDXSA-N 0 0 522.399 4.638 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000015934763 553542574 /nfs/dbraw/zinc/54/25/74/553542574.db2.gz GOEPSUOOWMGHMI-HJPURHCSSA-N 0 0 522.399 4.638 50 30 KJEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(OC(C)=O)cc2)N2c3ccccc3C=C[C@H]21 ZINC000015975007 553547821 /nfs/dbraw/zinc/54/78/21/553547821.db2.gz LHCFSPGTEMLZMA-JGLCYXNFSA-N 0 0 506.558 4.936 50 30 KJEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(CC)cccc2CC)c1 ZINC000015978525 553548001 /nfs/dbraw/zinc/54/80/01/553548001.db2.gz ORVKNUMWPHLVED-UHFFFAOYSA-N 0 0 506.624 4.988 50 30 KJEARN N#Cc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000015979252 553548173 /nfs/dbraw/zinc/54/81/73/553548173.db2.gz HWTGODCQLKUQFX-UHFFFAOYSA-N 0 0 505.339 4.607 50 30 KJEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(OC(C)=O)c(OC)c2)[C@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@H]21 ZINC000016039197 553552757 /nfs/dbraw/zinc/55/27/57/553552757.db2.gz FRFCSJPWINFCPP-MMGVRFDJSA-N 0 0 516.594 4.677 50 30 KJEARN Cc1sc2nc(C)nc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)c2c1C ZINC000016044111 553553575 /nfs/dbraw/zinc/55/35/75/553553575.db2.gz TYFSPGAHTGVBDC-UHFFFAOYSA-N 0 0 517.702 4.598 50 30 KJEARN COc1ccc(/N=C2/c3cc(Br)ccc3N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000016216059 553556884 /nfs/dbraw/zinc/55/68/84/553556884.db2.gz RICHDTSWTSYCDG-FVDSYPCUSA-N 0 0 505.416 4.705 50 30 KJEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000016293878 553559413 /nfs/dbraw/zinc/55/94/13/553559413.db2.gz DYMPXEYIIXNHOW-QHCPKHFHSA-N 0 0 511.372 4.793 50 30 KJEARN Cc1ccc2occ([C@@H]3C(C(=O)OC[C@@H]4CCCO4)=C(C)NC4=C3C(=O)C[C@H](c3ccco3)C4)c(=O)c2c1 ZINC000016293945 553559388 /nfs/dbraw/zinc/55/93/88/553559388.db2.gz LGUIABHHURXMQN-VXLXPWSCSA-N 0 0 515.562 4.778 50 30 KJEARN Cc1ccc2occ([C@H]3C(C(=O)OC[C@@H]4CCCO4)=C(C)NC4=C3C(=O)C[C@H](c3ccco3)C4)c(=O)c2c1 ZINC000016293948 553559405 /nfs/dbraw/zinc/55/94/05/553559405.db2.gz LGUIABHHURXMQN-RYTUXRKISA-N 0 0 515.562 4.778 50 30 KJEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000016294055 553559622 /nfs/dbraw/zinc/55/96/22/553559622.db2.gz DNNMMDCXYVRCBO-NRFANRHFSA-N 0 0 501.352 4.909 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000016345486 553560445 /nfs/dbraw/zinc/56/04/45/553560445.db2.gz GWVRQZUDCUNSRR-HSZRJFAPSA-N 0 0 522.631 4.847 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000016345489 553560461 /nfs/dbraw/zinc/56/04/61/553560461.db2.gz GWVRQZUDCUNSRR-QHCPKHFHSA-N 0 0 522.631 4.847 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000016361305 553560948 /nfs/dbraw/zinc/56/09/48/553560948.db2.gz VRDSJRMQNJVPOM-UHFFFAOYSA-N 0 0 518.668 4.599 50 30 KJEARN C=CCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000016448745 553565141 /nfs/dbraw/zinc/56/51/41/553565141.db2.gz HKRIIFCKRFHCDL-UHFFFAOYSA-N 0 0 500.621 4.944 50 30 KJEARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC#N ZINC000016474637 553565524 /nfs/dbraw/zinc/56/55/24/553565524.db2.gz NRZQDCRYSXDADF-IBGZPJMESA-N 0 0 519.783 4.670 50 30 KJEARN O=C(NCc1ccccc1)c1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000016479991 553566025 /nfs/dbraw/zinc/56/60/25/553566025.db2.gz NACFFUQANUZEAO-LLZINOMRSA-N 0 0 529.644 4.864 50 30 KJEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(OC)cc1 ZINC000016532838 553567513 /nfs/dbraw/zinc/56/75/13/553567513.db2.gz NDQOZGFRFTVKDK-UHFFFAOYSA-N 0 0 514.553 4.798 50 30 KJEARN CCCCC(=N\NS(=O)(=O)c1ccc(C)cc1)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000016637452 553570399 /nfs/dbraw/zinc/57/03/99/553570399.db2.gz OIYFYIAOIWEBRM-NBHCHVEOSA-N 0 0 526.684 4.511 50 30 KJEARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 ZINC000016648320 553570918 /nfs/dbraw/zinc/57/09/18/553570918.db2.gz CHLJHFUYHXLSCC-UHFFFAOYSA-N 0 0 509.610 4.791 50 30 KJEARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000016649368 553570909 /nfs/dbraw/zinc/57/09/09/553570909.db2.gz VMRRQLSWUVOKIH-UHFFFAOYSA-N 0 0 527.600 4.930 50 30 KJEARN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CC(C)C)C(=O)Nc2ccc(C#N)cc2)o1 ZINC000016651756 553571083 /nfs/dbraw/zinc/57/10/83/553571083.db2.gz GLBOXESBEANWKZ-UHFFFAOYSA-N 0 0 502.571 4.907 50 30 KJEARN COc1ccc(N2C(=O)C[C@@H](SC(=NCCc3ccc(OC)c(OC)c3)Nc3ccccc3)C2=O)cc1 ZINC000016677659 553571716 /nfs/dbraw/zinc/57/17/16/553571716.db2.gz DLUDFMQLEZCPNA-RUZDIDTESA-N 0 0 519.623 4.598 50 30 KJEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc5ccccc45)c(=O)n32)cc1 ZINC000016682368 553572237 /nfs/dbraw/zinc/57/22/37/553572237.db2.gz JOCFMELVECNUQK-HPFVHPJRSA-N 0 0 510.615 4.516 50 30 KJEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc5ccccc45)c(=O)n32)cc1 ZINC000016682369 553572255 /nfs/dbraw/zinc/57/22/55/553572255.db2.gz JOCFMELVECNUQK-WHNPURCTSA-N 0 0 510.615 4.516 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000016701267 553574785 /nfs/dbraw/zinc/57/47/85/553574785.db2.gz BPZBJBMIBZVZGZ-MHZLTWQESA-N 0 0 517.578 4.816 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000016701270 553574714 /nfs/dbraw/zinc/57/47/14/553574714.db2.gz BPZBJBMIBZVZGZ-HHHXNRCGSA-N 0 0 517.578 4.816 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000016713756 553575192 /nfs/dbraw/zinc/57/51/92/553575192.db2.gz RLYBRLZCVGVLAY-AREMUKBSSA-N 0 0 510.606 4.614 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)c(C)c1 ZINC000016713758 553575185 /nfs/dbraw/zinc/57/51/85/553575185.db2.gz RLYBRLZCVGVLAY-SANMLTNESA-N 0 0 510.606 4.614 50 30 KJEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000016730884 553576944 /nfs/dbraw/zinc/57/69/44/553576944.db2.gz ADVXLVTZWMDUMU-JOCHJYFZSA-N 0 0 509.356 4.640 50 30 KJEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000016730887 553576955 /nfs/dbraw/zinc/57/69/55/553576955.db2.gz ADVXLVTZWMDUMU-QFIPXVFZSA-N 0 0 509.356 4.640 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016730943 553576916 /nfs/dbraw/zinc/57/69/16/553576916.db2.gz VXGWWNNBDYEMAN-MHZLTWQESA-N 0 0 517.578 4.898 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016730946 553576867 /nfs/dbraw/zinc/57/68/67/553576867.db2.gz VXGWWNNBDYEMAN-HHHXNRCGSA-N 0 0 517.578 4.898 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCOC)cc1OC ZINC000016731305 553577057 /nfs/dbraw/zinc/57/70/57/553577057.db2.gz XHYMVSWZIUWHAW-DEOSSOPVSA-N 0 0 501.551 4.637 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCOC)cc1OC ZINC000016731308 553577129 /nfs/dbraw/zinc/57/71/29/553577129.db2.gz XHYMVSWZIUWHAW-XMMPIXPASA-N 0 0 501.551 4.637 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732527 553577711 /nfs/dbraw/zinc/57/77/11/553577711.db2.gz UDHZLJVPVNJVAZ-HSZRJFAPSA-N 0 0 522.399 4.879 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732530 553577741 /nfs/dbraw/zinc/57/77/41/553577741.db2.gz UDHZLJVPVNJVAZ-QHCPKHFHSA-N 0 0 522.399 4.879 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000016733689 553578182 /nfs/dbraw/zinc/57/81/82/553578182.db2.gz COYZAGBNCSSQHX-XMMPIXPASA-N 0 0 525.989 4.708 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000016733692 553578116 /nfs/dbraw/zinc/57/81/16/553578116.db2.gz COYZAGBNCSSQHX-DEOSSOPVSA-N 0 0 525.989 4.708 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000016734074 553578260 /nfs/dbraw/zinc/57/82/60/553578260.db2.gz ZNNDVARFIUEFFC-DEOSSOPVSA-N 0 0 505.523 4.649 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000016734077 553578295 /nfs/dbraw/zinc/57/82/95/553578295.db2.gz ZNNDVARFIUEFFC-XMMPIXPASA-N 0 0 505.523 4.649 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016734143 553578308 /nfs/dbraw/zinc/57/83/08/553578308.db2.gz MEACLZBRDMARPR-VWLOTQADSA-N 0 0 513.034 4.820 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000016734146 553578250 /nfs/dbraw/zinc/57/82/50/553578250.db2.gz MEACLZBRDMARPR-RUZDIDTESA-N 0 0 513.034 4.820 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734438 553578540 /nfs/dbraw/zinc/57/85/40/553578540.db2.gz QXXXICZGJWAHDM-SANMLTNESA-N 0 0 500.551 4.832 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734441 553578552 /nfs/dbraw/zinc/57/85/52/553578552.db2.gz QXXXICZGJWAHDM-AREMUKBSSA-N 0 0 500.551 4.832 50 30 KJEARN O=C(c1cccs1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016734852 553578676 /nfs/dbraw/zinc/57/86/76/553578676.db2.gz MLQQRPRJVJPGKQ-AREMUKBSSA-N 0 0 518.635 4.628 50 30 KJEARN O=C(c1cccs1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000016734855 553578639 /nfs/dbraw/zinc/57/86/39/553578639.db2.gz MLQQRPRJVJPGKQ-SANMLTNESA-N 0 0 518.635 4.628 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016737086 553579253 /nfs/dbraw/zinc/57/92/53/553579253.db2.gz XGHLMRZXFGIKRG-SANMLTNESA-N 0 0 503.551 4.508 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016737088 553579265 /nfs/dbraw/zinc/57/92/65/553579265.db2.gz XGHLMRZXFGIKRG-AREMUKBSSA-N 0 0 503.551 4.508 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000016742386 553580484 /nfs/dbraw/zinc/58/04/84/553580484.db2.gz IAEBNWIOHBOGST-MHZLTWQESA-N 0 0 517.578 4.903 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000016742387 553580431 /nfs/dbraw/zinc/58/04/31/553580431.db2.gz IAEBNWIOHBOGST-HHHXNRCGSA-N 0 0 517.578 4.903 50 30 KJEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943661 553584310 /nfs/dbraw/zinc/58/43/10/553584310.db2.gz ZBQNSFRZWLHTSK-OAQYLSRUSA-N 0 0 505.596 4.653 50 30 KJEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943666 553584317 /nfs/dbraw/zinc/58/43/17/553584317.db2.gz ZBQNSFRZWLHTSK-NRFANRHFSA-N 0 0 505.596 4.653 50 30 KJEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943671 553584322 /nfs/dbraw/zinc/58/43/22/553584322.db2.gz TUAASSUPCWSWCZ-OAQYLSRUSA-N 0 0 523.586 4.792 50 30 KJEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000016943675 553584324 /nfs/dbraw/zinc/58/43/24/553584324.db2.gz TUAASSUPCWSWCZ-NRFANRHFSA-N 0 0 523.586 4.792 50 30 KJEARN C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)o1 ZINC000017043674 553587166 /nfs/dbraw/zinc/58/71/66/553587166.db2.gz DVFWHHRNHUZUOX-UHFFFAOYSA-N 0 0 505.021 4.705 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000017045362 553587404 /nfs/dbraw/zinc/58/74/04/553587404.db2.gz VJHZKFYHIMJLFJ-AREMUKBSSA-N 0 0 503.551 4.513 50 30 KJEARN COC(=O)[C@H](NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12)c1ccccc1 ZINC000017058450 553587541 /nfs/dbraw/zinc/58/75/41/553587541.db2.gz FZMJVIPEDOROSZ-KUKYTWTLSA-N 0 0 520.670 4.879 50 30 KJEARN O=S(=O)(N/N=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1 ZINC000017143496 553588886 /nfs/dbraw/zinc/58/88/86/553588886.db2.gz MWIAKKBLSVGJLN-MYKKPKGFSA-N 0 0 503.296 4.952 50 30 KJEARN CCOC(=O)Cn1c(C)c(/C=C2/S/C(=N\c3cccc(C(=O)OC(C)C)c3)NC2=O)c2ccccc21 ZINC000017145917 553589141 /nfs/dbraw/zinc/58/91/41/553589141.db2.gz QXOSSKXBUAXRJC-OEAKJJBVSA-N 0 0 505.596 4.970 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(C)cc1 ZINC000017166832 553589736 /nfs/dbraw/zinc/58/97/36/553589736.db2.gz ATVDKADAJXXQMZ-QGUKFAFCSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(C)cc1 ZINC000017166834 553589729 /nfs/dbraw/zinc/58/97/29/553589729.db2.gz ATVDKADAJXXQMZ-OUIFVKKZSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1C ZINC000017166838 553589700 /nfs/dbraw/zinc/58/97/00/553589700.db2.gz DQPCHKWAFJHYNG-QGUKFAFCSA-N 0 0 503.595 4.718 50 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553589698 /nfs/dbraw/zinc/58/96/98/553589698.db2.gz GJQREVVHBVTETC-MSLLRLGPSA-N 0 0 517.622 4.972 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017166880 553589697 /nfs/dbraw/zinc/58/96/97/553589697.db2.gz DHQVISDCYSOTCY-VYCLJVNGSA-N 0 0 533.621 4.808 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017166882 553589724 /nfs/dbraw/zinc/58/97/24/553589724.db2.gz DHQVISDCYSOTCY-WDDWZANVSA-N 0 0 533.621 4.808 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017166883 553589701 /nfs/dbraw/zinc/58/97/01/553589701.db2.gz MFJQVVBEZZLZNS-DURWQBQJSA-N 0 0 533.621 4.808 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017166886 553589719 /nfs/dbraw/zinc/58/97/19/553589719.db2.gz MFJQVVBEZZLZNS-MSLLRLGPSA-N 0 0 533.621 4.808 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017166889 553589696 /nfs/dbraw/zinc/58/96/96/553589696.db2.gz ZROWTCWXJPVQPJ-DURWQBQJSA-N 0 0 533.621 4.808 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017166892 553589716 /nfs/dbraw/zinc/58/97/16/553589716.db2.gz ZROWTCWXJPVQPJ-MSLLRLGPSA-N 0 0 533.621 4.808 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1sccc1C ZINC000017166897 553589706 /nfs/dbraw/zinc/58/97/06/553589706.db2.gz AITRTEHROQZDSF-ANJVHQHFSA-N 0 0 509.624 4.779 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1sccc1C ZINC000017166900 553589733 /nfs/dbraw/zinc/58/97/33/553589733.db2.gz GFGCRTCHBOHLIZ-CKUXNOBLSA-N 0 0 509.624 4.779 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1sccc1C ZINC000017166906 553589714 /nfs/dbraw/zinc/58/97/14/553589714.db2.gz GFGCRTCHBOHLIZ-KWOQKUFVSA-N 0 0 509.624 4.779 50 30 KJEARN CCCOc1ccc(NC(=Nc2nc(C)cc(C)n2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000017180102 553590110 /nfs/dbraw/zinc/59/01/10/553590110.db2.gz OAJBDUCEXXEGGL-UHFFFAOYSA-N 0 0 518.437 4.723 50 30 KJEARN CCOC(=O)C1=NO[C@]2(/C(C)=N\OC(C)=O)[C@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000017206599 553590504 /nfs/dbraw/zinc/59/05/04/553590504.db2.gz MOPXUJSAEGDYHW-XBJKEANPSA-N 0 0 528.646 4.734 50 30 KJEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3N=C(SCc4ccccc4)NN32)cc(OC)c1OC ZINC000017242546 553591256 /nfs/dbraw/zinc/59/12/56/553591256.db2.gz XRRYDNVLYROSGQ-HSZRJFAPSA-N 0 0 506.628 4.876 50 30 KJEARN O=C1c2ccccc2C(=CNc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)C(=O)N1Cc1ccccc1 ZINC000017527668 553597069 /nfs/dbraw/zinc/59/70/69/553597069.db2.gz HCSHIUFUKOWXKB-LGUFXXKBSA-N 0 0 528.634 4.573 50 30 KJEARN CCOC(=O)Cc1csc(NC(=NS(=O)(=O)c2cc(Br)ccc2OCC)c2ccccc2)n1 ZINC000017576540 553597921 /nfs/dbraw/zinc/59/79/21/553597921.db2.gz QQUTWQAFKZXZRJ-UHFFFAOYSA-N 0 0 552.472 4.658 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000018021277 553601475 /nfs/dbraw/zinc/60/14/75/553601475.db2.gz VGLQJZAAWGCOGX-JOCHJYFZSA-N 0 0 510.388 4.713 50 30 KJEARN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)=C(O)C(=O)N1c1nc(C)c(C(=O)OC)s1 ZINC000018056969 553602517 /nfs/dbraw/zinc/60/25/17/553602517.db2.gz NGWSDKZWHLOUJC-OAQYLSRUSA-N 0 0 522.579 4.737 50 30 KJEARN COc1ccc2[nH]cc(CCNC(=NC(=S)Nc3cccc(OC)c3)Nc3nc(C)cc(C)n3)c2c1 ZINC000018063623 553602849 /nfs/dbraw/zinc/60/28/49/553602849.db2.gz ZCEQPCUYYOXOFV-UHFFFAOYSA-N 0 0 503.632 4.589 50 30 KJEARN COc1ccc(NC(=S)N=C(NCCc2c[nH]c3ccc(OC)cc23)Nc2nc(C)cc(C)n2)cc1 ZINC000018063625 553602754 /nfs/dbraw/zinc/60/27/54/553602754.db2.gz PJBCENRCEMEZRX-UHFFFAOYSA-N 0 0 503.632 4.589 50 30 KJEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000018066392 553602703 /nfs/dbraw/zinc/60/27/03/553602703.db2.gz PVLSRMNCRDADLX-IMRQLAEWSA-N 0 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50 30 KJEARN COc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000018101303 553604152 /nfs/dbraw/zinc/60/41/52/553604152.db2.gz NFICYQJDEJCODB-HHHXNRCGSA-N 0 0 556.623 4.794 50 30 KJEARN O=C(Nc1ccc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000018120754 553605443 /nfs/dbraw/zinc/60/54/43/553605443.db2.gz IRYBNLAMRAVMCZ-UHFFFAOYSA-O 0 0 516.990 4.997 50 30 KJEARN O=C(CC1S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000018163233 553606652 /nfs/dbraw/zinc/60/66/52/553606652.db2.gz AGYRXUOOTKARKZ-UOODYVSWSA-N 0 0 500.001 4.562 50 30 KJEARN COc1cc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc(I)c1O ZINC000018196919 553608661 /nfs/dbraw/zinc/60/86/61/553608661.db2.gz VRTIBQCQGKGFSN-FQEVSTJZSA-N 0 0 507.324 4.587 50 30 KJEARN COc1cc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc(I)c1O ZINC000018196921 553608659 /nfs/dbraw/zinc/60/86/59/553608659.db2.gz VRTIBQCQGKGFSN-HXUWFJFHSA-N 0 0 507.324 4.587 50 30 KJEARN COc1cc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O ZINC000018197540 553608977 /nfs/dbraw/zinc/60/89/77/553608977.db2.gz IXKABPZTJORERV-WNSKOXEYSA-N 0 0 515.591 4.908 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000018197754 553608967 /nfs/dbraw/zinc/60/89/67/553608967.db2.gz OLYNUTQNPJTGHY-FKIZINRSSA-N 0 0 512.360 4.559 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000018197756 553608930 /nfs/dbraw/zinc/60/89/30/553608930.db2.gz OLYNUTQNPJTGHY-MPBGBICISA-N 0 0 512.360 4.559 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cc(Br)ccc2O)cc1OC ZINC000018197758 553608866 /nfs/dbraw/zinc/60/88/66/553608866.db2.gz OLYNUTQNPJTGHY-YUNKPMOVSA-N 0 0 512.360 4.559 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cc(Br)ccc2O)cc1OC ZINC000018197759 553608972 /nfs/dbraw/zinc/60/89/72/553608972.db2.gz OLYNUTQNPJTGHY-ODXCJYRJSA-N 0 0 512.360 4.559 50 30 KJEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1 ZINC000018198131 553609188 /nfs/dbraw/zinc/60/91/88/553609188.db2.gz GJNYAFADSCDGGP-WXTAPIANSA-N 0 0 503.603 4.566 50 30 KJEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1 ZINC000018198133 553609187 /nfs/dbraw/zinc/60/91/87/553609187.db2.gz GJNYAFADSCDGGP-DWXRJYCRSA-N 0 0 503.603 4.566 50 30 KJEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1 ZINC000018198135 553609183 /nfs/dbraw/zinc/60/91/83/553609183.db2.gz GJNYAFADSCDGGP-HFJWLAOPSA-N 0 0 503.603 4.566 50 30 KJEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1 ZINC000018198136 553609165 /nfs/dbraw/zinc/60/91/65/553609165.db2.gz GJNYAFADSCDGGP-QYBDOPJKSA-N 0 0 503.603 4.566 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C(F)(F)F)C2)cc(OC)c1OC ZINC000018198201 553609179 /nfs/dbraw/zinc/60/91/79/553609179.db2.gz FBLRGJPYPKWVDH-WHEQGISXSA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C(F)(F)F)C2)cc(OC)c1OC ZINC000018198203 553609186 /nfs/dbraw/zinc/60/91/86/553609186.db2.gz FBLRGJPYPKWVDH-MCMMXHMISA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C(F)(F)F)C2)cc(OC)c1OC ZINC000018198205 553609178 /nfs/dbraw/zinc/60/91/78/553609178.db2.gz FBLRGJPYPKWVDH-XMHCIUCPSA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C(F)(F)F)C2)cc(OC)c1OC ZINC000018198207 553609167 /nfs/dbraw/zinc/60/91/67/553609167.db2.gz FBLRGJPYPKWVDH-DMZKTXOQSA-N 0 0 500.477 4.738 50 30 KJEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000018198614 553609700 /nfs/dbraw/zinc/60/97/00/553609700.db2.gz OQGDYLYDSDWAAG-XDHUDOTRSA-N 0 0 518.614 4.946 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018199912 553610086 /nfs/dbraw/zinc/61/00/86/553610086.db2.gz FOFGBTGWAGCDTB-LAJNKCICSA-N 0 0 516.385 4.609 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018199914 553610038 /nfs/dbraw/zinc/61/00/38/553610038.db2.gz FOFGBTGWAGCDTB-XUSGNXJCSA-N 0 0 516.385 4.609 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018199915 553610028 /nfs/dbraw/zinc/61/00/28/553610028.db2.gz FOFGBTGWAGCDTB-QKVFXAPYSA-N 0 0 516.385 4.609 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018199917 553610106 /nfs/dbraw/zinc/61/01/06/553610106.db2.gz FOFGBTGWAGCDTB-GTJPDFRWSA-N 0 0 516.385 4.609 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000018200288 553610093 /nfs/dbraw/zinc/61/00/93/553610093.db2.gz KQPKJDBUFRGCHA-VBKZILBWSA-N 0 0 501.461 4.989 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000018200289 553609979 /nfs/dbraw/zinc/60/99/79/553609979.db2.gz KQPKJDBUFRGCHA-JLTOFOAXSA-N 0 0 501.461 4.989 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000018200291 553610054 /nfs/dbraw/zinc/61/00/54/553610054.db2.gz KQPKJDBUFRGCHA-XOBRGWDASA-N 0 0 501.461 4.989 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000018200293 553610042 /nfs/dbraw/zinc/61/00/42/553610042.db2.gz KQPKJDBUFRGCHA-VLIAUNLRSA-N 0 0 501.461 4.989 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200359 553610219 /nfs/dbraw/zinc/61/02/19/553610219.db2.gz DGTVLQHLZGIBGP-RCDICMHDSA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200361 553610198 /nfs/dbraw/zinc/61/01/98/553610198.db2.gz DGTVLQHLZGIBGP-JLCFBVMHSA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200362 553610178 /nfs/dbraw/zinc/61/01/78/553610178.db2.gz DGTVLQHLZGIBGP-FPTDNZKUSA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200364 553610190 /nfs/dbraw/zinc/61/01/90/553610190.db2.gz DGTVLQHLZGIBGP-PEBXRYMYSA-N 0 0 500.477 4.738 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OC(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200394 553610216 /nfs/dbraw/zinc/61/02/16/553610216.db2.gz XOWIYVDMWRMGIG-RCDICMHDSA-N 0 0 516.476 4.618 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OC(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200395 553610196 /nfs/dbraw/zinc/61/01/96/553610196.db2.gz XOWIYVDMWRMGIG-JLCFBVMHSA-N 0 0 516.476 4.618 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OC(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200397 553610223 /nfs/dbraw/zinc/61/02/23/553610223.db2.gz XOWIYVDMWRMGIG-FPTDNZKUSA-N 0 0 516.476 4.618 50 30 KJEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OC(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000018200399 553610200 /nfs/dbraw/zinc/61/02/00/553610200.db2.gz XOWIYVDMWRMGIG-PEBXRYMYSA-N 0 0 516.476 4.618 50 30 KJEARN CCOc1ccc(NC(=NCc2ccc3c(c2)OCO3)S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000018205715 553610489 /nfs/dbraw/zinc/61/04/89/553610489.db2.gz JLJGOMNYIRFYSM-XMMPIXPASA-N 0 0 503.580 4.847 50 30 KJEARN COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc1OC ZINC000018222782 553610752 /nfs/dbraw/zinc/61/07/52/553610752.db2.gz PDYNZMUAYQKMMG-UHFFFAOYSA-N 0 0 506.994 4.686 50 30 KJEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000018222788 553610750 /nfs/dbraw/zinc/61/07/50/553610750.db2.gz IWFQAHDRKCMQJD-XBXARRHUSA-N 0 0 516.989 4.797 50 30 KJEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)CSc2nc(C)cc(C)n2)n1 ZINC000018223219 553610770 /nfs/dbraw/zinc/61/07/70/553610770.db2.gz VSBWOMHYKGQAPL-UHFFFAOYSA-N 0 0 523.066 4.554 50 30 KJEARN O=C(CC1S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000018227845 553611053 /nfs/dbraw/zinc/61/10/53/553611053.db2.gz AGYRXUOOTKARKZ-HZYJKNPPSA-N 0 0 500.001 4.562 50 30 KJEARN Cc1nnc(SCc2cc(=O)[nH]c(NC(=NC(=O)c3ccccc3)Nc3ccc(C)cc3C)n2)s1 ZINC000018249361 553611295 /nfs/dbraw/zinc/61/12/95/553611295.db2.gz MQNVPMGUFJESTL-UHFFFAOYSA-N 0 0 505.629 4.559 50 30 KJEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc(I)c1OC ZINC000018254811 553611605 /nfs/dbraw/zinc/61/16/05/553611605.db2.gz BSPKJUYZTALFJK-BOPFTXTBSA-N 0 0 510.353 4.599 50 30 KJEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000018285011 553612156 /nfs/dbraw/zinc/61/21/56/553612156.db2.gz IOUCAQVQSLDLPA-WINIVTDRSA-N 0 0 507.583 4.733 50 30 KJEARN N#C[C@@]12CN(Cc3ccccc3)C[C@@](C#N)(C3=NCN(Cc4ccccc4)CN3C1=S)C21CCCCC1 ZINC000019331028 553613657 /nfs/dbraw/zinc/61/36/57/553613657.db2.gz TXQMMQMJYYTITF-URLMMPGGSA-N 0 0 508.695 4.945 50 30 KJEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Br ZINC000019370832 553614593 /nfs/dbraw/zinc/61/45/93/553614593.db2.gz JPHQBRQCOQLFCI-IKPAITLHSA-N 0 0 547.453 4.729 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019760955 553616124 /nfs/dbraw/zinc/61/61/24/553616124.db2.gz VVUHKPKZDPEWLK-RBISFHTESA-N 0 0 503.595 4.964 50 30 biogenic KJEARN COc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019760958 553616071 /nfs/dbraw/zinc/61/60/71/553616071.db2.gz VVUHKPKZDPEWLK-DWACAAAGSA-N 0 0 503.595 4.964 50 30 biogenic KJEARN COc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019760961 553616121 /nfs/dbraw/zinc/61/61/21/553616121.db2.gz VVUHKPKZDPEWLK-SKCUWOTOSA-N 0 0 503.595 4.964 50 30 biogenic KJEARN COc1cc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019760964 553616131 /nfs/dbraw/zinc/61/61/31/553616131.db2.gz VVUHKPKZDPEWLK-DFHRPNOPSA-N 0 0 503.595 4.964 50 30 biogenic KJEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019770253 553616044 /nfs/dbraw/zinc/61/60/44/553616044.db2.gz OJMFBJLYJYNJRU-HFJWLAOPSA-N 0 0 504.539 4.884 50 30 KJEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019770254 553616029 /nfs/dbraw/zinc/61/60/29/553616029.db2.gz OJMFBJLYJYNJRU-QYBDOPJKSA-N 0 0 504.539 4.884 50 30 KJEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770255 553616069 /nfs/dbraw/zinc/61/60/69/553616069.db2.gz OJMFBJLYJYNJRU-WXTAPIANSA-N 0 0 504.539 4.884 50 30 KJEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770256 553616113 /nfs/dbraw/zinc/61/61/13/553616113.db2.gz OJMFBJLYJYNJRU-DWXRJYCRSA-N 0 0 504.539 4.884 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])cc1OC ZINC000019805393 553617725 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50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219760 553615407 /nfs/dbraw/zinc/61/54/07/553615407.db2.gz YRFISNQHCZTCMR-HHHXNRCGSA-N 0 0 522.642 4.563 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219761 553615490 /nfs/dbraw/zinc/61/54/90/553615490.db2.gz BBWCXIHWCORGMG-MHZLTWQESA-N 0 0 522.642 4.562 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219762 553615485 /nfs/dbraw/zinc/61/54/85/553615485.db2.gz BBWCXIHWCORGMG-HHHXNRCGSA-N 0 0 522.642 4.562 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(C(C)(C)C)cc3)oc21 ZINC000020219833 553615810 /nfs/dbraw/zinc/61/58/10/553615810.db2.gz VTJDXCUPPCCQTG-RUZDIDTESA-N 0 0 518.610 4.649 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(C(C)(C)C)cc3)oc21 ZINC000020219834 553615727 /nfs/dbraw/zinc/61/57/27/553615727.db2.gz VTJDXCUPPCCQTG-VWLOTQADSA-N 0 0 518.610 4.649 50 30 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COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020233994 553619714 /nfs/dbraw/zinc/61/97/14/553619714.db2.gz DRXXLKWHVBBGMM-DEOSSOPVSA-N 0 0 513.034 4.557 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020234409 553620306 /nfs/dbraw/zinc/62/03/06/553620306.db2.gz ZZQNOQMOEIGBQF-MHZLTWQESA-N 0 0 506.643 4.645 50 30 KJEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020234413 553620283 /nfs/dbraw/zinc/62/02/83/553620283.db2.gz ZZQNOQMOEIGBQF-HHHXNRCGSA-N 0 0 506.643 4.645 50 30 KJEARN C=CCc1cc(/C=C2\C(=O)N=C3SC=CN3C2=N)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1 ZINC000020235185 553621413 /nfs/dbraw/zinc/62/14/13/553621413.db2.gz YQNDKKVCDWHITR-XVCGDLFISA-N 0 0 518.595 4.617 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OCC)c(OC)c1 ZINC000020236171 553622992 /nfs/dbraw/zinc/62/29/92/553622992.db2.gz FHGSIHZAOPIBLF-SELGXMBDSA-N 0 0 503.555 4.731 50 30 KJEARN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c(OC)c1 ZINC000020236175 553623062 /nfs/dbraw/zinc/62/30/62/553623062.db2.gz YLVDREANTLNTJE-KQUNGDMTSA-N 0 0 523.973 4.994 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000020308641 553635964 /nfs/dbraw/zinc/63/59/64/553635964.db2.gz RSFBUANEHFUROA-AREMUKBSSA-N 0 0 510.606 4.647 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000020308643 553635988 /nfs/dbraw/zinc/63/59/88/553635988.db2.gz RSFBUANEHFUROA-SANMLTNESA-N 0 0 510.606 4.647 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccc(C)cc1 ZINC000020309071 553636346 /nfs/dbraw/zinc/63/63/46/553636346.db2.gz FMEUWCJSOPYZKU-QFIPXVFZSA-N 0 0 501.421 4.773 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccc(C)cc1 ZINC000020309074 553636325 /nfs/dbraw/zinc/63/63/25/553636325.db2.gz FMEUWCJSOPYZKU-JOCHJYFZSA-N 0 0 501.421 4.773 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccc(F)cc1 ZINC000020309251 553636330 /nfs/dbraw/zinc/63/63/30/553636330.db2.gz NXBRZXNMJNABLX-NRFANRHFSA-N 0 0 505.384 4.604 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccc(F)cc1 ZINC000020309254 553636283 /nfs/dbraw/zinc/63/62/83/553636283.db2.gz NXBRZXNMJNABLX-OAQYLSRUSA-N 0 0 505.384 4.604 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccccc1F ZINC000020309270 553636908 /nfs/dbraw/zinc/63/69/08/553636908.db2.gz FVWYOGQFBYHJPG-NRFANRHFSA-N 0 0 505.384 4.604 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccccc1F ZINC000020309273 553636765 /nfs/dbraw/zinc/63/67/65/553636765.db2.gz FVWYOGQFBYHJPG-OAQYLSRUSA-N 0 0 505.384 4.604 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccc(F)c1 ZINC000020309275 553636756 /nfs/dbraw/zinc/63/67/56/553636756.db2.gz CNBKCXPMXOUUIE-NRFANRHFSA-N 0 0 505.384 4.604 50 30 KJEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1cccc(F)c1 ZINC000020309278 553636734 /nfs/dbraw/zinc/63/67/34/553636734.db2.gz CNBKCXPMXOUUIE-OAQYLSRUSA-N 0 0 505.384 4.604 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000020309288 553636840 /nfs/dbraw/zinc/63/68/40/553636840.db2.gz DIGIUOHJMYCBFP-FQEVSTJZSA-N 0 0 507.812 4.728 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC000020309291 553636654 /nfs/dbraw/zinc/63/66/54/553636654.db2.gz DIGIUOHJMYCBFP-HXUWFJFHSA-N 0 0 507.812 4.728 50 30 KJEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000020323302 553638239 /nfs/dbraw/zinc/63/82/39/553638239.db2.gz DYMPXEYIIXNHOW-HSZRJFAPSA-N 0 0 511.372 4.793 50 30 KJEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000020323890 553638186 /nfs/dbraw/zinc/63/81/86/553638186.db2.gz BDKZTGMDFCJXSS-ZCYRUUNBSA-N 0 0 521.585 4.927 50 30 KJEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000020323903 553638219 /nfs/dbraw/zinc/63/82/19/553638219.db2.gz BDKZTGMDFCJXSS-NSLQWWKHSA-N 0 0 521.585 4.927 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020390017 553644627 /nfs/dbraw/zinc/64/46/27/553644627.db2.gz FXKMSDUJTIYMIY-MHZLTWQESA-N 0 0 506.643 4.584 50 30 KJEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020390022 553644679 /nfs/dbraw/zinc/64/46/79/553644679.db2.gz FXKMSDUJTIYMIY-HHHXNRCGSA-N 0 0 506.643 4.584 50 30 KJEARN NC(=NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1cccnc1 ZINC000020413171 553647458 /nfs/dbraw/zinc/64/74/58/553647458.db2.gz OUUWWIAGYLCKIF-UHFFFAOYSA-N 0 0 501.735 4.837 50 30 KJEARN NC(=NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccccn1 ZINC000020413173 553647435 /nfs/dbraw/zinc/64/74/35/553647435.db2.gz XFLUFRREFGADCT-UHFFFAOYSA-N 0 0 501.735 4.837 50 30 KJEARN NC(=NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccncc1 ZINC000020413177 553647439 /nfs/dbraw/zinc/64/74/39/553647439.db2.gz JMRICFZLOMKCSR-UHFFFAOYSA-N 0 0 501.735 4.837 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000020418870 553648067 /nfs/dbraw/zinc/64/80/67/553648067.db2.gz BGUUGDUFSUXMES-PLIGCNLOSA-N 0 0 530.621 4.565 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000020418872 553648034 /nfs/dbraw/zinc/64/80/34/553648034.db2.gz BGUUGDUFSUXMES-LUICLMBMSA-N 0 0 530.621 4.565 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000020418921 553648019 /nfs/dbraw/zinc/64/80/19/553648019.db2.gz DVZBEQSKTKRFNI-VSPOGIRPSA-N 0 0 531.609 4.745 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000020418924 553648059 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O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000022838382 553757584 /nfs/dbraw/zinc/75/75/84/553757584.db2.gz SXMDNLGPIURYOA-OGJWQKAUSA-N 0 0 513.801 4.618 50 30 KJEARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000022838387 553757544 /nfs/dbraw/zinc/75/75/44/553757544.db2.gz SXMDNLGPIURYOA-IMQJOWEQSA-N 0 0 513.801 4.618 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000023230795 553771702 /nfs/dbraw/zinc/77/17/02/553771702.db2.gz SGJCYWGAMXDJKH-MUUNZHRXSA-N 0 0 528.605 4.788 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000023230798 553771680 /nfs/dbraw/zinc/77/16/80/553771680.db2.gz SGJCYWGAMXDJKH-NDEPHWFRSA-N 0 0 528.605 4.788 50 30 KJEARN COc1cccc(NC(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000023432084 553775894 /nfs/dbraw/zinc/77/58/94/553775894.db2.gz YAPRPWNPAOZQKD-MUUNZHRXSA-N 0 0 500.599 4.683 50 30 KJEARN COc1cccc(NC(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000023432088 553775917 /nfs/dbraw/zinc/77/59/17/553775917.db2.gz YAPRPWNPAOZQKD-NDEPHWFRSA-N 0 0 500.599 4.683 50 30 KJEARN Cc1cc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)c(C)o1 ZINC000023434049 553776505 /nfs/dbraw/zinc/77/65/05/553776505.db2.gz NEICRKLXXYZOLW-UHFFFAOYSA-N 0 0 523.589 4.925 50 30 KJEARN COc1cccc([C@@H](CN2CCN(C(=O)Nc3cc(F)ccc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437230 553777006 /nfs/dbraw/zinc/77/70/06/553777006.db2.gz FSLJMVKOZRJDLS-HHHXNRCGSA-N 0 0 506.553 4.953 50 30 KJEARN COc1cccc([C@H](CN2CCN(C(=O)Nc3cc(F)ccc3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437233 553777094 /nfs/dbraw/zinc/77/70/94/553777094.db2.gz FSLJMVKOZRJDLS-MHZLTWQESA-N 0 0 506.553 4.953 50 30 KJEARN COc1cccc([C@@H](CN2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437566 553777351 /nfs/dbraw/zinc/77/73/51/553777351.db2.gz HNEARZXZURNXGM-GDLZYMKVSA-N 0 0 509.610 4.741 50 30 KJEARN COc1cccc([C@H](CN2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023437569 553777349 /nfs/dbraw/zinc/77/73/49/553777349.db2.gz HNEARZXZURNXGM-LJAQVGFWSA-N 0 0 509.610 4.741 50 30 KJEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)Cc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023438139 553777362 /nfs/dbraw/zinc/77/73/62/553777362.db2.gz PGLJHOVYWMRTCU-WJOKGBTCSA-N 0 0 508.666 4.803 50 30 KJEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)Cc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023438142 553777401 /nfs/dbraw/zinc/77/74/01/553777401.db2.gz PGLJHOVYWMRTCU-HKBQPEDESA-N 0 0 508.666 4.803 50 30 KJEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)c4ccccc4F)CC3)cc2=O)cc1 ZINC000023438551 553777707 /nfs/dbraw/zinc/77/77/07/553777707.db2.gz WJESKDBSXQNQRB-UHFFFAOYSA-N 0 0 523.564 4.855 50 30 KJEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)Cc4cccs4)CC3)cc2=O)cc1 ZINC000023439575 553777974 /nfs/dbraw/zinc/77/79/74/553777974.db2.gz GEOPLJZWFYXKOO-UHFFFAOYSA-N 0 0 525.630 4.706 50 30 KJEARN COc1cccc([C@@H](CN2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023440950 553778559 /nfs/dbraw/zinc/77/85/59/553778559.db2.gz GIGRUZRIGRGIBV-AREMUKBSSA-N 0 0 505.018 4.640 50 30 KJEARN COc1cccc([C@H](CN2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023440952 553778463 /nfs/dbraw/zinc/77/84/63/553778463.db2.gz GIGRUZRIGRGIBV-SANMLTNESA-N 0 0 505.018 4.640 50 30 KJEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3cccs3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023445790 553780022 /nfs/dbraw/zinc/78/00/22/553780022.db2.gz OEZZWDNLXHLRPJ-HHHXNRCGSA-N 0 0 500.668 4.936 50 30 KJEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3cccs3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023445793 553780016 /nfs/dbraw/zinc/78/00/16/553780016.db2.gz OEZZWDNLXHLRPJ-MHZLTWQESA-N 0 0 500.668 4.936 50 30 KJEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)Cc3cccs3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023446387 553780348 /nfs/dbraw/zinc/78/03/48/553780348.db2.gz HHDJSEZUFOYDGM-GDLZYMKVSA-N 0 0 514.695 4.865 50 30 KJEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)Cc3cccs3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023446389 553780272 /nfs/dbraw/zinc/78/02/72/553780272.db2.gz HHDJSEZUFOYDGM-LJAQVGFWSA-N 0 0 514.695 4.865 50 30 KJEARN C=C(C)CN(CC)C(=O)c1cnc(-c2cccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c2)nc1 ZINC000023446472 553780258 /nfs/dbraw/zinc/78/02/58/553780258.db2.gz XBEDXGHAYYEQEZ-UHFFFAOYSA-N 0 0 502.615 4.514 50 30 KJEARN Cc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023448584 553781396 /nfs/dbraw/zinc/78/13/96/553781396.db2.gz XRVOASNPFINXFC-MHZLTWQESA-N 0 0 510.059 4.785 50 30 KJEARN Cc1cccc(CO[C@H](CN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023448587 553781391 /nfs/dbraw/zinc/78/13/91/553781391.db2.gz XRVOASNPFINXFC-HHHXNRCGSA-N 0 0 510.059 4.785 50 30 KJEARN COc1cccc(C(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c1 ZINC000023449175 553781388 /nfs/dbraw/zinc/78/13/88/553781388.db2.gz QXOQIPHVAJHHHK-WJOKGBTCSA-N 0 0 524.665 4.883 50 30 KJEARN COc1cccc(C(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c1 ZINC000023449179 553781634 /nfs/dbraw/zinc/78/16/34/553781634.db2.gz QXOQIPHVAJHHHK-HKBQPEDESA-N 0 0 524.665 4.883 50 30 KJEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023449236 553781653 /nfs/dbraw/zinc/78/16/53/553781653.db2.gz YSYCHYUDARGYJC-WJOKGBTCSA-N 0 0 519.649 4.746 50 30 KJEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023449239 553781681 /nfs/dbraw/zinc/78/16/81/553781681.db2.gz YSYCHYUDARGYJC-HKBQPEDESA-N 0 0 519.649 4.746 50 30 KJEARN Cc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccc(Cl)cc2)c1 ZINC000023449905 553781703 /nfs/dbraw/zinc/78/17/03/553781703.db2.gz HZMDMTYHWZTRPD-SANMLTNESA-N 0 0 510.059 4.785 50 30 KJEARN Cc1cccc(CO[C@H](CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccc(Cl)cc2)c1 ZINC000023449908 553781727 /nfs/dbraw/zinc/78/17/27/553781727.db2.gz HZMDMTYHWZTRPD-AREMUKBSSA-N 0 0 510.059 4.785 50 30 KJEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(C#N)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023450060 553781717 /nfs/dbraw/zinc/78/17/17/553781717.db2.gz FDWFTQAJZUJUMR-WJOKGBTCSA-N 0 0 519.649 4.746 50 30 KJEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(C#N)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023450063 553781917 /nfs/dbraw/zinc/78/19/17/553781917.db2.gz FDWFTQAJZUJUMR-HKBQPEDESA-N 0 0 519.649 4.746 50 30 KJEARN COc1ccccc1C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023450268 553781871 /nfs/dbraw/zinc/78/18/71/553781871.db2.gz RRAKEPVMNDHAGZ-WJOKGBTCSA-N 0 0 524.665 4.883 50 30 KJEARN COc1ccccc1C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023450272 553781908 /nfs/dbraw/zinc/78/19/08/553781908.db2.gz RRAKEPVMNDHAGZ-HKBQPEDESA-N 0 0 524.665 4.883 50 30 KJEARN CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2onc(COC)c2-c2ccc(Cl)cc2)nc1C ZINC000023453223 553782772 /nfs/dbraw/zinc/78/27/72/553782772.db2.gz NCMQXCYBZTXKSZ-UHFFFAOYSA-N 0 0 500.964 4.624 50 30 KJEARN Cc1ccc(C#N)c(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Br)cc3)CC2)c1 ZINC000023457050 553784465 /nfs/dbraw/zinc/78/44/65/553784465.db2.gz CIXMZEADOXLRNQ-VWLOTQADSA-N 0 0 510.457 4.725 50 30 KJEARN Cc1ccc(C#N)c(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccc(Br)cc3)CC2)c1 ZINC000023457053 553784378 /nfs/dbraw/zinc/78/43/78/553784378.db2.gz CIXMZEADOXLRNQ-RUZDIDTESA-N 0 0 510.457 4.725 50 30 KJEARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2ccc(C#N)cc2)n3C[C@@H]2CCCO2)C1 ZINC000023462071 553786613 /nfs/dbraw/zinc/78/66/13/553786613.db2.gz BVQIGOJXNNVASS-KNQAVFIVSA-N 0 0 510.685 4.800 50 30 KJEARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2ccc(C#N)cc2)n3C[C@@H]2CCCO2)C1 ZINC000023462076 553786594 /nfs/dbraw/zinc/78/65/94/553786594.db2.gz BVQIGOJXNNVASS-UGKGYDQZSA-N 0 0 510.685 4.800 50 30 KJEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000023968484 553787429 /nfs/dbraw/zinc/78/74/29/553787429.db2.gz WKDOYKLQPZNEOV-UHFFFAOYSA-N 0 0 519.627 4.656 50 30 KJEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000023968518 553787466 /nfs/dbraw/zinc/78/74/66/553787466.db2.gz HUSMGHCDFAMSID-UHFFFAOYSA-N 0 0 521.643 4.887 50 30 KJEARN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1c2ccccc2oc1C(=O)OCC ZINC000023989326 553787856 /nfs/dbraw/zinc/78/78/56/553787856.db2.gz HRSKEYIFAHVBCU-UHFFFAOYSA-N 0 0 522.583 4.705 50 30 KJEARN C=CCn1c(COc2ccccc2F)nnc1SCc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000023995500 553788161 /nfs/dbraw/zinc/78/81/61/553788161.db2.gz AEOLXCXANZISTK-UHFFFAOYSA-N 0 0 514.608 4.547 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)c(C)c1 ZINC000024081368 553789188 /nfs/dbraw/zinc/78/91/88/553789188.db2.gz SJRTUFODMFHFQD-UHFFFAOYSA-N 0 0 513.594 4.993 50 30 KJEARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2cccc(C#N)c2)n3C[C@@H]2CCCO2)C1 ZINC000025141950 553793121 /nfs/dbraw/zinc/79/31/21/553793121.db2.gz FJWARKFKDFUXSL-KNQAVFIVSA-N 0 0 510.685 4.800 50 30 KJEARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2cccc(C#N)c2)n3C[C@@H]2CCCO2)C1 ZINC000025141952 553793238 /nfs/dbraw/zinc/79/32/38/553793238.db2.gz FJWARKFKDFUXSL-UGKGYDQZSA-N 0 0 510.685 4.800 50 30 KJEARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2ccccc2C#N)n3C[C@@H]2CCCO2)C1 ZINC000025142529 553793332 /nfs/dbraw/zinc/79/33/32/553793332.db2.gz QUBFNHWSEKIUEG-KNQAVFIVSA-N 0 0 510.685 4.800 50 30 KJEARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2ccccc2C#N)n3C[C@@H]2CCCO2)C1 ZINC000025142531 553793404 /nfs/dbraw/zinc/79/34/04/553793404.db2.gz QUBFNHWSEKIUEG-UGKGYDQZSA-N 0 0 510.685 4.800 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2ccccc2C)n1 ZINC000025156955 553799358 /nfs/dbraw/zinc/79/93/58/553799358.db2.gz RXSNKKWYTDBZSC-UHFFFAOYSA-N 0 0 519.605 4.859 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025157153 553799710 /nfs/dbraw/zinc/79/97/10/553799710.db2.gz JEKNDBQXYSTGKE-UHFFFAOYSA-N 0 0 523.568 4.689 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)n(-c2ccccc2C)n1 ZINC000025157378 553799776 /nfs/dbraw/zinc/79/97/76/553799776.db2.gz JMSVKAHJVMEIFZ-UHFFFAOYSA-N 0 0 519.605 4.859 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025157568 553799971 /nfs/dbraw/zinc/79/99/71/553799971.db2.gz JXMJASXESYAACB-UHFFFAOYSA-N 0 0 523.568 4.689 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025157577 553799959 /nfs/dbraw/zinc/79/99/59/553799959.db2.gz UHIMBXVOOXFTAT-UHFFFAOYSA-N 0 0 523.568 4.689 50 30 KJEARN Cc1cccc(C)c1-n1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000025390098 553806963 /nfs/dbraw/zinc/80/69/63/553806963.db2.gz DNKGYNMLTCCNON-UHFFFAOYSA-N 0 0 503.653 4.965 50 30 KJEARN COc1ccc2c(c1)c(CC(=O)OCC(=O)Nc1cccc(C#N)c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000025390696 553807208 /nfs/dbraw/zinc/80/72/08/553807208.db2.gz QUXGTOPVVIYGBE-UHFFFAOYSA-N 0 0 515.953 4.896 50 30 KJEARN N#Cc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000025390774 553807260 /nfs/dbraw/zinc/80/72/60/553807260.db2.gz JSMAPLPAJAEMLE-UHFFFAOYSA-N 0 0 505.339 4.607 50 30 KJEARN N#Cc1c(N2CCOCC2)nc2c3c(nc4c(c13)CC(=O)N4c1cccc(Cl)c1)NC1(CCCCC1)N2 ZINC000025398048 553808415 /nfs/dbraw/zinc/80/84/15/553808415.db2.gz RLDZZOGXQHUAJI-UHFFFAOYSA-N 0 0 516.005 4.710 50 30 KJEARN CCCCCC(=O)NC(=S)Nc1nc(C)c(C(/C=C/c2ccc(Cl)cc2)=N/NC(N)=S)s1 ZINC000025585248 553812174 /nfs/dbraw/zinc/81/21/74/553812174.db2.gz JTVFTPOOAMUYLU-CIHGWCJUSA-N 0 0 509.126 4.749 50 30 KJEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000025782021 553813463 /nfs/dbraw/zinc/81/34/63/553813463.db2.gz GUEQYJFEUQDZTC-JOCHJYFZSA-N 0 0 512.404 4.801 50 30 KJEARN COc1cc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000025782023 553813583 /nfs/dbraw/zinc/81/35/83/553813583.db2.gz GUEQYJFEUQDZTC-QFIPXVFZSA-N 0 0 512.404 4.801 50 30 KJEARN CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 ZINC000025782823 553813830 /nfs/dbraw/zinc/81/38/30/553813830.db2.gz NKXYAJFIPLIXFA-IBGZPJMESA-N 0 0 518.389 4.763 50 30 KJEARN COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000025783888 553814069 /nfs/dbraw/zinc/81/40/69/553814069.db2.gz GWSRTTAWQQUMCY-OGLMXYFKSA-N 0 0 504.564 4.697 50 30 KJEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1 ZINC000026464869 553818513 /nfs/dbraw/zinc/81/85/13/553818513.db2.gz MGRBQMIFGFELBT-HAHDFKILSA-N 0 0 507.593 4.613 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000026676022 553820079 /nfs/dbraw/zinc/82/00/79/553820079.db2.gz PANXBQFUEGJWFE-FUXRUBMQSA-N 0 0 506.584 4.529 50 30 KJEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2ccccc2OC)cc1 ZINC000026963984 553822332 /nfs/dbraw/zinc/82/23/32/553822332.db2.gz BCMNIQLKTPVVPM-UHFFFAOYSA-N 0 0 503.551 4.608 50 30 KJEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)COc2ccccc2F)cc1 ZINC000026964000 553822251 /nfs/dbraw/zinc/82/22/51/553822251.db2.gz HFFFJDPZMFCJTG-UHFFFAOYSA-N 0 0 521.541 4.503 50 30 KJEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000026964011 553822368 /nfs/dbraw/zinc/82/23/68/553822368.db2.gz OTIQGNMEURJLPA-UHFFFAOYSA-N 0 0 503.551 4.608 50 30 KJEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000026964027 553822341 /nfs/dbraw/zinc/82/23/41/553822341.db2.gz VBYIYGUFNSIBLE-UHFFFAOYSA-N 0 0 518.522 4.507 50 30 KJEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000026964048 553822308 /nfs/dbraw/zinc/82/23/08/553822308.db2.gz ZXYNZZPAJUIACB-UHFFFAOYSA-N 0 0 518.522 4.507 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C ZINC000027019881 553823768 /nfs/dbraw/zinc/82/37/68/553823768.db2.gz VOYRAZWVZUQHKA-UQQQWYQISA-N 0 0 527.650 4.580 50 30 KJEARN Cc1cccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2-c2ccccc2)c1 ZINC000027461004 553825510 /nfs/dbraw/zinc/82/55/10/553825510.db2.gz ZEPLOOWGLNHLKB-CSCCTVEJSA-N 0 0 506.414 4.656 50 30 KJEARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1 ZINC000027522377 553829053 /nfs/dbraw/zinc/82/90/53/553829053.db2.gz SIJHJFBHVDSLNZ-PQHDRGKASA-N 0 0 507.543 4.724 50 30 KJEARN COc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1 ZINC000027522379 553828969 /nfs/dbraw/zinc/82/89/69/553828969.db2.gz SIJHJFBHVDSLNZ-WNMDNWPKSA-N 0 0 507.543 4.724 50 30 KJEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000027522389 553829018 /nfs/dbraw/zinc/82/90/18/553829018.db2.gz MPSYIYOTWFGCES-FZWCJVCJSA-N 0 0 505.615 4.758 50 30 KJEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000027522391 553828973 /nfs/dbraw/zinc/82/89/73/553828973.db2.gz MPSYIYOTWFGCES-PGWWVJEZSA-N 0 0 505.615 4.758 50 30 KJEARN O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522434 553829025 /nfs/dbraw/zinc/82/90/25/553829025.db2.gz XHIRDFLZMVYWCX-FJOMVMCCSA-N 0 0 522.026 4.949 50 30 KJEARN O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522436 553829029 /nfs/dbraw/zinc/82/90/29/553829029.db2.gz XHIRDFLZMVYWCX-IOYDYCAWSA-N 0 0 522.026 4.949 50 30 KJEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027522455 553829014 /nfs/dbraw/zinc/82/90/14/553829014.db2.gz FNSSATOSHGSCSA-HZVWYJMBSA-N 0 0 519.579 4.593 50 30 KJEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027522457 553828995 /nfs/dbraw/zinc/82/89/95/553828995.db2.gz FNSSATOSHGSCSA-MLNTVTBVSA-N 0 0 519.579 4.593 50 30 KJEARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)/C(=N/c2ccccc2)S1 ZINC000027522594 553829326 /nfs/dbraw/zinc/82/93/26/553829326.db2.gz RQUGQLDVVYVTKH-WEBDSESRSA-N 0 0 519.623 4.915 50 30 KJEARN COc1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)/C(=N/c2ccccc2)S1 ZINC000027522596 553829315 /nfs/dbraw/zinc/82/93/15/553829315.db2.gz RQUGQLDVVYVTKH-FRDMNLSBSA-N 0 0 519.623 4.915 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529814 553831692 /nfs/dbraw/zinc/83/16/92/553831692.db2.gz SULXPUBALBYEGA-PSLXWICFSA-N 0 0 521.595 4.750 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529815 553831681 /nfs/dbraw/zinc/83/16/81/553831681.db2.gz SULXPUBALBYEGA-LFVRLGFBSA-N 0 0 521.595 4.750 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529816 553831661 /nfs/dbraw/zinc/83/16/61/553831661.db2.gz SULXPUBALBYEGA-FATZIPQQSA-N 0 0 521.595 4.750 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000027529817 553831474 /nfs/dbraw/zinc/83/14/74/553831474.db2.gz SULXPUBALBYEGA-QKFKETGDSA-N 0 0 521.595 4.750 50 30 KJEARN COc1ccc(-c2nc3ccccc3c(=O)n2OC(=O)/C=C/c2ccc(Br)cc2)cc1OC ZINC000027530977 553832035 /nfs/dbraw/zinc/83/20/35/553832035.db2.gz NDQGXFBBZNCWJO-NTEUORMPSA-N 0 0 507.340 4.512 50 30 KJEARN COc1ccc(/C=C2\CCC/C(=C/c3ccc(OC)c(CN4CCOCC4)c3)C2=O)cc1CN1CCOCC1 ZINC000027546617 553832615 /nfs/dbraw/zinc/83/26/15/553832615.db2.gz PULULASTYKLYOY-SZNZDIFOSA-N 0 0 532.681 4.588 50 30 KJEARN CC(=O)N(c1cccc(I)c1)C1=C(NC2CCCCC2)C(=O)c2ccccc2C1=O ZINC000027548836 553833598 /nfs/dbraw/zinc/83/35/98/553833598.db2.gz LNAVIXPSXQTURC-UHFFFAOYSA-N 0 0 514.363 4.857 50 30 KJEARN CC(=O)N(c1ccc(I)cc1)C1=C(NC2CCCCC2)C(=O)c2ccccc2C1=O ZINC000027548872 553833564 /nfs/dbraw/zinc/83/35/64/553833564.db2.gz VZIBSNVKWOOPEF-UHFFFAOYSA-N 0 0 514.363 4.857 50 30 KJEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OCC)c(OC)c1 ZINC000027549817 553834092 /nfs/dbraw/zinc/83/40/92/553834092.db2.gz NOUBFHCXOGMBSD-ZVPJYGFCSA-N 0 0 520.611 4.919 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)cc1 ZINC000027551689 553834723 /nfs/dbraw/zinc/83/47/23/553834723.db2.gz YNTZOIIVAZIPHB-ZSQFBXSQSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)cc1 ZINC000027551698 553834657 /nfs/dbraw/zinc/83/46/57/553834657.db2.gz YNTZOIIVAZIPHB-UCGXPXSYSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C)cc1 ZINC000027551705 553834727 /nfs/dbraw/zinc/83/47/27/553834727.db2.gz UZRYBMUHEOUWNY-ZSQFBXSQSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C)cc1 ZINC000027551714 553834650 /nfs/dbraw/zinc/83/46/50/553834650.db2.gz UZRYBMUHEOUWNY-UCGXPXSYSA-N 0 0 503.595 4.718 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000027551722 553834706 /nfs/dbraw/zinc/83/47/06/553834706.db2.gz JHRKSTMZCHJQHD-IEZKXTBUSA-N 0 0 507.558 4.548 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000027551728 553834736 /nfs/dbraw/zinc/83/47/36/553834736.db2.gz JHRKSTMZCHJQHD-GVXSCFBNSA-N 0 0 507.558 4.548 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(CC)cc1 ZINC000027551735 553834694 /nfs/dbraw/zinc/83/46/94/553834694.db2.gz SRHXBBFOFIZBJY-VYCLJVNGSA-N 0 0 517.622 4.972 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(CC)cc1 ZINC000027551741 553834725 /nfs/dbraw/zinc/83/47/25/553834725.db2.gz SRHXBBFOFIZBJY-WDDWZANVSA-N 0 0 517.622 4.972 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1sccc1C ZINC000027551747 553834741 /nfs/dbraw/zinc/83/47/41/553834741.db2.gz SRPKLZMSITXYEU-CKUXNOBLSA-N 0 0 509.624 4.779 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1sccc1C ZINC000027551754 553834738 /nfs/dbraw/zinc/83/47/38/553834738.db2.gz SRPKLZMSITXYEU-KWOQKUFVSA-N 0 0 509.624 4.779 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000027552156 553834686 /nfs/dbraw/zinc/83/46/86/553834686.db2.gz VWVNBFDXRMVYGI-HHHXNRCGSA-N 0 0 518.654 4.768 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000027552160 553834636 /nfs/dbraw/zinc/83/46/36/553834636.db2.gz VWVNBFDXRMVYGI-MHZLTWQESA-N 0 0 518.654 4.768 50 30 KJEARN CC(/C=C/c1ccc(N(C)C)cc1)=N\N=C1/NC(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)S1 ZINC000027569791 553834932 /nfs/dbraw/zinc/83/49/32/553834932.db2.gz MRQNHPSPQNWFSF-HXZXCINFSA-N 0 0 514.449 4.521 50 30 KJEARN CC(/C=C/c1ccc(N(C)C)cc1)=N\N=C1/NC(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S1 ZINC000027569795 553834997 /nfs/dbraw/zinc/83/49/97/553834997.db2.gz MRQNHPSPQNWFSF-XQUCSVDGSA-N 0 0 514.449 4.521 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000027988892 553837049 /nfs/dbraw/zinc/83/70/49/553837049.db2.gz SGSGCGDHJKVQNP-MHZLTWQESA-N 0 0 517.578 4.816 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000027988898 553837098 /nfs/dbraw/zinc/83/70/98/553837098.db2.gz SGSGCGDHJKVQNP-HHHXNRCGSA-N 0 0 517.578 4.816 50 30 KJEARN COc1ccc([C@@H](CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000027994350 553837073 /nfs/dbraw/zinc/83/70/73/553837073.db2.gz AVMAOUDDGQAHMO-IAPPQJPRSA-N 0 0 512.606 4.655 50 30 KJEARN COc1ccc([C@H](CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000027994357 553837107 /nfs/dbraw/zinc/83/71/07/553837107.db2.gz AVMAOUDDGQAHMO-XCZPVHLTSA-N 0 0 512.606 4.655 50 30 KJEARN COc1ccc([C@@H](CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000027994364 553837137 /nfs/dbraw/zinc/83/71/37/553837137.db2.gz AVMAOUDDGQAHMO-IXCJQBJRSA-N 0 0 512.606 4.655 50 30 KJEARN COc1ccc([C@H](CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000027994370 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C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccc(OC)cc1 ZINC000035809087 554077762 /nfs/dbraw/zinc/07/77/62/554077762.db2.gz RFTKNAQUHYZEHA-UHFFFAOYSA-N 0 0 521.614 4.905 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000035824067 554079031 /nfs/dbraw/zinc/07/90/31/554079031.db2.gz DVZBEQSKTKRFNI-YGZVCBRSSA-N 0 0 531.609 4.745 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000035824070 554079128 /nfs/dbraw/zinc/07/91/28/554079128.db2.gz DVZBEQSKTKRFNI-RASJMTDNSA-N 0 0 531.609 4.745 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000035824078 554079101 /nfs/dbraw/zinc/07/91/01/554079101.db2.gz BGUUGDUFSUXMES-HKLKAILGSA-N 0 0 530.621 4.565 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000035824083 554079036 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C=CCN1C2=C(C(=O)N([C@H](C(=O)NCC(C)C)C(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035969322 554113407 /nfs/dbraw/zinc/11/34/07/554113407.db2.gz QCESTYCARPKNTE-SVBPBHIXSA-N 0 0 516.642 4.624 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCC(C)C)C(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035969324 554113356 /nfs/dbraw/zinc/11/33/56/554113356.db2.gz QCESTYCARPKNTE-KAYWLYCHSA-N 0 0 516.642 4.624 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCC(C)C)C(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035969328 554113349 /nfs/dbraw/zinc/11/33/49/554113349.db2.gz QCESTYCARPKNTE-SXOMAYOGSA-N 0 0 516.642 4.624 50 30 KJEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000036011705 554133028 /nfs/dbraw/zinc/13/30/28/554133028.db2.gz BDKZTGMDFCJXSS-SGXKSUMTSA-N 0 0 521.585 4.927 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013251 554133661 /nfs/dbraw/zinc/13/36/61/554133661.db2.gz VMEXCNMOAADJMU-UHFFFAOYSA-N 0 0 510.638 4.533 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013504 554134116 /nfs/dbraw/zinc/13/41/16/554134116.db2.gz PKCLFEWLPMWJIN-UHFFFAOYSA-N 0 0 525.653 4.924 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1cccs1 ZINC000036013530 554134309 /nfs/dbraw/zinc/13/43/09/554134309.db2.gz OZYRGESWJUKICF-UHFFFAOYSA-N 0 0 521.618 4.508 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013533 554134319 /nfs/dbraw/zinc/13/43/19/554134319.db2.gz COHKGKUAPREAMZ-UHFFFAOYSA-N 0 0 529.616 4.755 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=O)Cc1ccccc1 ZINC000036030215 554142763 /nfs/dbraw/zinc/14/27/63/554142763.db2.gz QAEBFQFNYIIOEM-UHFFFAOYSA-N 0 0 500.064 4.924 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000036030470 554143283 /nfs/dbraw/zinc/14/32/83/554143283.db2.gz QHSOOTOGVHAXIN-UHFFFAOYSA-N 0 0 513.663 4.971 50 30 KJEARN C=CCn1c(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031930 554145412 /nfs/dbraw/zinc/14/54/12/554145412.db2.gz IAKRPRHHZQGJFJ-DEOSSOPVSA-N 0 0 529.062 4.910 50 30 KJEARN C=CCn1c(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031933 554145398 /nfs/dbraw/zinc/14/53/98/554145398.db2.gz IAKRPRHHZQGJFJ-XMMPIXPASA-N 0 0 529.062 4.910 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=S)Nc1ccc(OC)cc1 ZINC000036032024 554145381 /nfs/dbraw/zinc/14/53/81/554145381.db2.gz VSJHOZOMFOYYEQ-UHFFFAOYSA-N 0 0 512.701 4.907 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)S(=O)(=O)c1ccccc1 ZINC000036032411 554145993 /nfs/dbraw/zinc/14/59/93/554145993.db2.gz BNVATEGXVYHNQD-UHFFFAOYSA-N 0 0 522.092 4.543 50 30 KJEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000036033790 554146280 /nfs/dbraw/zinc/14/62/80/554146280.db2.gz HKBLEGXWTKSSFK-BNIKKZEQSA-N 0 0 507.608 4.757 50 30 KJEARN 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50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000036040029 554148101 /nfs/dbraw/zinc/14/81/01/554148101.db2.gz KVBOLEFKFUPMSZ-UHFFFAOYSA-N 0 0 517.626 4.802 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1cccs1 ZINC000036040114 554148335 /nfs/dbraw/zinc/14/83/35/554148335.db2.gz HLRSNKHTXHTAGG-UHFFFAOYSA-N 0 0 509.628 4.934 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1ccccc1 ZINC000036040115 554148390 /nfs/dbraw/zinc/14/83/90/554148390.db2.gz HBXPQNDVASWUQS-UHFFFAOYSA-N 0 0 503.599 4.873 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC000036040249 554148692 /nfs/dbraw/zinc/14/86/92/554148692.db2.gz AFRLQLXECZOJSL-UHFFFAOYSA-N 0 0 503.599 4.873 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000036040252 554148706 /nfs/dbraw/zinc/14/87/06/554148706.db2.gz PNUQZKSWBDOLTP-UHFFFAOYSA-N 0 0 515.635 4.742 50 30 KJEARN 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C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000036303331 554213257 /nfs/dbraw/zinc/21/32/57/554213257.db2.gz JTENLKHHIODCEH-AZGAKELHSA-N 0 0 509.622 4.911 50 30 KJEARN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036303564 554213970 /nfs/dbraw/zinc/21/39/70/554213970.db2.gz UOGWOFIZKQQBMD-ZEQRLZLVSA-N 0 0 510.034 4.618 50 30 KJEARN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000036303566 554213865 /nfs/dbraw/zinc/21/38/65/554213865.db2.gz UOGWOFIZKQQBMD-BJKOFHAPSA-N 0 0 510.034 4.618 50 30 KJEARN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304240 554214314 /nfs/dbraw/zinc/21/43/14/554214314.db2.gz MIQZPAWOCXXUIJ-ZEQRLZLVSA-N 0 0 513.585 4.796 50 30 KJEARN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000036304244 554214404 /nfs/dbraw/zinc/21/44/04/554214404.db2.gz MIQZPAWOCXXUIJ-BJKOFHAPSA-N 0 0 513.585 4.796 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036309000 554216716 /nfs/dbraw/zinc/21/67/16/554216716.db2.gz NMURNGARQARECI-LBNVMWSVSA-N 0 0 520.695 4.627 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036309001 554216669 /nfs/dbraw/zinc/21/66/69/554216669.db2.gz NMURNGARQARECI-LSYYVWMOSA-N 0 0 520.695 4.627 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000036309255 554216611 /nfs/dbraw/zinc/21/66/11/554216611.db2.gz SYAXWCYQWGDLOM-JYFHCDHNSA-N 0 0 500.705 4.650 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000036309256 554216534 /nfs/dbraw/zinc/21/65/34/554216534.db2.gz SYAXWCYQWGDLOM-OZXSUGGESA-N 0 0 500.705 4.650 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)Cc1ccccc1 ZINC000036309423 554217159 /nfs/dbraw/zinc/21/71/59/554217159.db2.gz SFGCWHADXDMQJO-XNMGPUDCSA-N 0 0 504.696 4.961 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)Cc1ccccc1 ZINC000036309424 554217274 /nfs/dbraw/zinc/21/72/74/554217274.db2.gz SFGCWHADXDMQJO-VPUSJEBWSA-N 0 0 504.696 4.961 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036309891 554217809 /nfs/dbraw/zinc/21/78/09/554217809.db2.gz MKLLSPLMNRAOQP-BVAGGSTKSA-N 0 0 524.658 4.628 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036309893 554217651 /nfs/dbraw/zinc/21/76/51/554217651.db2.gz MKLLSPLMNRAOQP-OZXSUGGESA-N 0 0 524.658 4.628 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(C#N)cc2)C1 ZINC000037402544 554242508 /nfs/dbraw/zinc/24/25/08/554242508.db2.gz CGANUBLXVNDUBS-NANFOGFDSA-N 0 0 510.606 4.624 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccc(C#N)cc2)C1 ZINC000037402547 554242454 /nfs/dbraw/zinc/24/24/54/554242454.db2.gz CGANUBLXVNDUBS-XWDJFTLGSA-N 0 0 510.606 4.624 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2C#N)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2F)C1 ZINC000037420832 554242886 /nfs/dbraw/zinc/24/28/86/554242886.db2.gz IYXCMEBCKKBJRN-NANFOGFDSA-N 0 0 510.606 4.624 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2C#N)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2F)C1 ZINC000037420836 554242928 /nfs/dbraw/zinc/24/29/28/554242928.db2.gz IYXCMEBCKKBJRN-XWDJFTLGSA-N 0 0 510.606 4.624 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2C#N)C1 ZINC000037421301 554242913 /nfs/dbraw/zinc/24/29/13/554242913.db2.gz KWKOOGLQHUBOSB-NANFOGFDSA-N 0 0 510.606 4.624 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2C#N)C1 ZINC000037421304 554242900 /nfs/dbraw/zinc/24/29/00/554242900.db2.gz KWKOOGLQHUBOSB-XWDJFTLGSA-N 0 0 510.606 4.624 50 30 KJEARN N#Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCc3ccc4c(c3)OCO4)c2)cc1 ZINC000037600407 554253290 /nfs/dbraw/zinc/25/32/90/554253290.db2.gz IUGUFCVAQNEVTC-UHFFFAOYSA-N 0 0 503.558 4.993 50 30 KJEARN CCOC(=O)C1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000037600410 554253316 /nfs/dbraw/zinc/25/33/16/554253316.db2.gz ANKBFIQAZFTWMJ-UHFFFAOYSA-N 0 0 509.606 4.749 50 30 KJEARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)c2)C1 ZINC000037600652 554253230 /nfs/dbraw/zinc/25/32/30/554253230.db2.gz UYXHGDJFHUZHAF-HHHXNRCGSA-N 0 0 509.606 4.749 50 30 KJEARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)c2)C1 ZINC000037600653 554253309 /nfs/dbraw/zinc/25/33/09/554253309.db2.gz UYXHGDJFHUZHAF-MHZLTWQESA-N 0 0 509.606 4.749 50 30 KJEARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)N(CC)CC)ccc1-2 ZINC000038139961 554261859 /nfs/dbraw/zinc/26/18/59/554261859.db2.gz XZMGUJBUSDLQAC-UHFFFAOYSA-N 0 0 540.711 4.593 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000038140410 554263402 /nfs/dbraw/zinc/26/34/02/554263402.db2.gz XKZMXTIBZOSNSQ-MUUNZHRXSA-N 0 0 548.636 4.777 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000038140411 554263323 /nfs/dbraw/zinc/26/33/23/554263323.db2.gz XKZMXTIBZOSNSQ-NDEPHWFRSA-N 0 0 548.636 4.777 50 30 KJEARN CCc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)s2)cc1 ZINC000038145196 554267369 /nfs/dbraw/zinc/26/73/69/554267369.db2.gz JCZQPCIRUGQQBR-UHFFFAOYSA-N 0 0 544.728 4.826 50 30 KJEARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)s2)c(C)c1 ZINC000038145471 554267408 /nfs/dbraw/zinc/26/74/08/554267408.db2.gz KBFPWZHWKUYVDC-UHFFFAOYSA-N 0 0 544.728 4.880 50 30 KJEARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)s2)cc1 ZINC000038145490 554267403 /nfs/dbraw/zinc/26/74/03/554267403.db2.gz NQERPKGESVOKTF-UHFFFAOYSA-N 0 0 530.701 4.572 50 30 KJEARN Cc1cc(C)cc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c1 ZINC000038145496 554267428 /nfs/dbraw/zinc/26/74/28/554267428.db2.gz CCUFDKXYUWYIMA-UHFFFAOYSA-N 0 0 589.743 4.984 50 30 KJEARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1C ZINC000038145497 554267393 /nfs/dbraw/zinc/26/73/93/554267393.db2.gz HAADWFVHLHTKGR-UHFFFAOYSA-N 0 0 589.743 4.984 50 30 KJEARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c1C ZINC000038145500 554267646 /nfs/dbraw/zinc/26/76/46/554267646.db2.gz FGVAVJUHVSHPAV-UHFFFAOYSA-N 0 0 589.743 4.984 50 30 KJEARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000038145505 554267624 /nfs/dbraw/zinc/26/76/24/554267624.db2.gz PSHZODRZAOJCIS-UHFFFAOYSA-N 0 0 575.716 4.676 50 30 KJEARN CCc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000038145506 554267615 /nfs/dbraw/zinc/26/76/15/554267615.db2.gz RDXSZDUTIGSGCF-UHFFFAOYSA-N 0 0 589.743 4.930 50 30 aggregator KJEARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)s1 ZINC000038146223 554269937 /nfs/dbraw/zinc/26/99/37/554269937.db2.gz SCXIZLRKDRTKQG-UHFFFAOYSA-N 0 0 560.727 4.662 50 30 KJEARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000038154829 554273445 /nfs/dbraw/zinc/27/34/45/554273445.db2.gz NXADPDOIJIXCOX-POTDNYQPSA-N 0 0 508.961 4.718 50 30 aggregator KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000038205371 554274381 /nfs/dbraw/zinc/27/43/81/554274381.db2.gz NIBSGYJSFDSHKX-YGRUTGNNSA-N 0 0 521.610 4.955 50 30 KJEARN Cn1c(CCCCc2nnc(SCc3cccc(C#N)c3)n2C)nnc1SCc1cccc(C#N)c1 ZINC000040546448 554287436 /nfs/dbraw/zinc/28/74/36/554287436.db2.gz UKYGZTISQGOHDS-UHFFFAOYSA-N 0 0 514.684 4.837 50 30 KJEARN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 ZINC000042893657 554297113 /nfs/dbraw/zinc/29/71/13/554297113.db2.gz FWIVDMJALNEADT-SFTDATJTSA-N 0 0 525.568 4.629 50 30 investigational KJEARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NN=Cc2cc(Br)c(O)c(OC)c2)cc1 ZINC000043191052 554297776 /nfs/dbraw/zinc/29/77/76/554297776.db2.gz FGWZQUIMDFMNSW-AFUMVMLFSA-N 0 0 501.381 4.929 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000044459977 554302112 /nfs/dbraw/zinc/30/21/12/554302112.db2.gz NSOKKFLUEXHXBM-WJOKGBTCSA-N 0 0 586.685 4.979 50 30 KJEARN Cc1ccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000046021759 554319042 /nfs/dbraw/zinc/31/90/42/554319042.db2.gz NRUPRBXDBKJWRC-UHFFFAOYSA-N 0 0 507.034 4.821 50 30 KJEARN O=C([O-])c1cccc(NC(=[NH+]Cc2ccc(F)cc2)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000046021772 554319149 /nfs/dbraw/zinc/31/91/49/554319149.db2.gz QWZJPXDLFDBRAG-UHFFFAOYSA-N 0 0 510.997 4.651 50 30 KJEARN COc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3OC)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000049757407 554325225 /nfs/dbraw/zinc/32/52/25/554325225.db2.gz OLGAPOOAHYRCHH-AFUMVMLFSA-N 0 0 531.489 4.638 50 30 KJEARN COc1ccc(Nc2nc(N=NCc3cc(Br)c(O)cc3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000049917706 554326890 /nfs/dbraw/zinc/32/68/90/554326890.db2.gz GWDOFAKAQBJYJZ-BRJLIKDPSA-N 0 0 567.360 4.895 50 30 KJEARN CC(C)c1cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n2c3ccccc3nc2c1C#N ZINC000050860654 554327798 /nfs/dbraw/zinc/32/77/98/554327798.db2.gz QAORFPSNNIMGIZ-UHFFFAOYSA-N 0 0 544.500 4.817 50 30 KJEARN COc1ccc(-c2c3c(N)c(C(=O)Nc4cc(OC)c(Cl)cc4OC)sc3nc(N)c2C#N)cc1OC ZINC000053277222 554330495 /nfs/dbraw/zinc/33/04/95/554330495.db2.gz WLKSAMAOSHOZNE-UHFFFAOYSA-N 0 0 540.001 4.939 50 30 KJEARN COc1cc(-c2c(C#N)c(N)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c2C#N)cc(OC)c1OC ZINC000053277264 554330542 /nfs/dbraw/zinc/33/05/42/554330542.db2.gz TVKNDHHMOVILEB-UHFFFAOYSA-N 0 0 543.527 4.850 50 30 KJEARN N#Cc1c(N)nc(SCC(=O)Nc2ncc(Br)cc2Br)c(C#N)c1-c1ccccc1 ZINC000053277283 554330918 /nfs/dbraw/zinc/33/09/18/554330918.db2.gz BIHKBWFVLRRTIO-UHFFFAOYSA-N 0 0 544.232 4.725 50 30 KJEARN COc1cc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc(Br)cc3)c2C#N)cc(OC)c1OC ZINC000053277301 554330986 /nfs/dbraw/zinc/33/09/86/554330986.db2.gz UZSYVFBDQSTKBL-UHFFFAOYSA-N 0 0 539.411 4.837 50 30 KJEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(N)c(C#N)c(-c3cccs3)c1C#N)CCCC2 ZINC000053277318 554330970 /nfs/dbraw/zinc/33/09/70/554330970.db2.gz OCJVDSSTJPRKMU-UHFFFAOYSA-N 0 0 523.665 4.983 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000053305935 554333228 /nfs/dbraw/zinc/33/32/28/554333228.db2.gz NEUBFMWMBUWFIV-JOCHJYFZSA-N 0 0 538.398 4.744 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c1C ZINC000053305938 554333221 /nfs/dbraw/zinc/33/32/21/554333221.db2.gz NEUBFMWMBUWFIV-QFIPXVFZSA-N 0 0 538.398 4.744 50 30 KJEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053306300 554333477 /nfs/dbraw/zinc/33/34/77/554333477.db2.gz RZVIJQUCNHZVMH-WNSKOXEYSA-N 0 0 546.601 4.909 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000053307392 554334980 /nfs/dbraw/zinc/33/49/80/554334980.db2.gz RMFYKJXMZYEEIO-HXUWFJFHSA-N 0 0 540.241 4.666 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000053307394 554335174 /nfs/dbraw/zinc/33/51/74/554335174.db2.gz RMFYKJXMZYEEIO-FQEVSTJZSA-N 0 0 540.241 4.666 50 30 KJEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000053319192 554336643 /nfs/dbraw/zinc/33/66/43/554336643.db2.gz DQMXGBRRXBUNGY-DEOSSOPVSA-N 0 0 530.558 4.955 50 30 KJEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000053319193 554336590 /nfs/dbraw/zinc/33/65/90/554336590.db2.gz DQMXGBRRXBUNGY-XMMPIXPASA-N 0 0 530.558 4.955 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)c1C ZINC000053319232 554336871 /nfs/dbraw/zinc/33/68/71/554336871.db2.gz CONKWNPFHGJMCO-JOCHJYFZSA-N 0 0 538.398 4.744 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)c1C ZINC000053319233 554336755 /nfs/dbraw/zinc/33/67/55/554336755.db2.gz CONKWNPFHGJMCO-QFIPXVFZSA-N 0 0 538.398 4.744 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000053334037 554339716 /nfs/dbraw/zinc/33/97/16/554339716.db2.gz KBJQNQREFZEEHH-FPTDNZKUSA-N 0 0 534.590 4.743 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000053335167 554340610 /nfs/dbraw/zinc/34/06/10/554340610.db2.gz AECARKVHMZLRPX-FATZIPQQSA-N 0 0 551.393 4.660 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000053335285 554340599 /nfs/dbraw/zinc/34/05/99/554340599.db2.gz UCQAHWKMYBCXTD-IQMFZBJNSA-N 0 0 546.601 4.909 50 30 KJEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335382 554341070 /nfs/dbraw/zinc/34/10/70/554341070.db2.gz UKZJOAMUAPKWDO-DEOSSOPVSA-N 0 0 542.569 4.945 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335384 554340977 /nfs/dbraw/zinc/34/09/77/554340977.db2.gz UKZJOAMUAPKWDO-XMMPIXPASA-N 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545.411 4.543 50 30 KJEARN C=CCNC(=O)/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccc(Br)cc1 ZINC000059222130 554385509 /nfs/dbraw/zinc/38/55/09/554385509.db2.gz BNYGDIZQCBYIPM-ULJHMMPZSA-N 0 0 555.450 4.598 50 30 KJEARN CCOc1cc(CN=Nc2ncc(F)c(NC)n2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000059222181 554385913 /nfs/dbraw/zinc/38/59/13/554385913.db2.gz NBURCJUYOKMQJB-NSKAYECMSA-N 0 0 566.331 4.594 50 30 KJEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000059503741 554399837 /nfs/dbraw/zinc/39/98/37/554399837.db2.gz IUCDUJXVZAOORY-RWBGVLPISA-N 0 0 623.845 4.648 50 30 KJEARN C=CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000059503760 554399885 /nfs/dbraw/zinc/39/98/85/554399885.db2.gz FMWGGXLSXJZUKR-UHFFFAOYSA-N 0 0 603.144 4.550 50 30 KJEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000059503878 554400360 /nfs/dbraw/zinc/40/03/60/554400360.db2.gz 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554408788 /nfs/dbraw/zinc/40/87/88/554408788.db2.gz VZGMIIWVUDSPCS-ITNZAGEZSA-N 0 0 556.409 4.855 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000059603602 554410157 /nfs/dbraw/zinc/41/01/57/554410157.db2.gz RCPBHXOOAXDUCZ-UHFFFAOYSA-N 0 0 542.503 4.855 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000059608128 554410820 /nfs/dbraw/zinc/41/08/20/554410820.db2.gz DCYYTOZWFAYNBF-UHFFFAOYSA-N 0 0 562.479 4.997 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000059611997 554412190 /nfs/dbraw/zinc/41/21/90/554412190.db2.gz WDZITWQRCLGHSC-HSZRJFAPSA-N 0 0 538.630 4.547 50 30 KJEARN C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000059611999 554412197 /nfs/dbraw/zinc/41/21/97/554412197.db2.gz WDZITWQRCLGHSC-QHCPKHFHSA-N 0 0 538.630 4.547 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1OCC ZINC000059612004 554412176 /nfs/dbraw/zinc/41/21/76/554412176.db2.gz MSHZWVSNNLGHNY-UHFFFAOYSA-N 0 0 534.469 4.873 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000059612088 554412442 /nfs/dbraw/zinc/41/24/42/554412442.db2.gz OVCHBVNCCWOLLY-UHFFFAOYSA-N 0 0 549.440 4.691 50 30 KJEARN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000059612282 554412386 /nfs/dbraw/zinc/41/23/86/554412386.db2.gz CAMOELLUUYPCAP-UHFFFAOYSA-N 0 0 568.870 4.872 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000059612302 554412399 /nfs/dbraw/zinc/41/23/99/554412399.db2.gz IUWKOHDYTQKQJZ-UPFZHXHPSA-N 0 0 571.718 4.673 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000059612307 554412381 /nfs/dbraw/zinc/41/23/81/554412381.db2.gz IUWKOHDYTQKQJZ-WPCVZQFZSA-N 0 0 571.718 4.673 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(N3CCOCC3)cc2)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000059612310 554412323 /nfs/dbraw/zinc/41/23/23/554412323.db2.gz IUWKOHDYTQKQJZ-XSFHMJGTSA-N 0 0 571.718 4.673 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000059612324 554412446 /nfs/dbraw/zinc/41/24/46/554412446.db2.gz HYFXZYZHDVOXOP-RALMQAKXSA-N 0 0 554.643 4.943 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000059612329 554412331 /nfs/dbraw/zinc/41/23/31/554412331.db2.gz HYFXZYZHDVOXOP-CYVWVULMSA-N 0 0 554.643 4.943 50 30 KJEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3ccc(N(C)C)cc3)CC2=O)N1 ZINC000059612337 554412421 /nfs/dbraw/zinc/41/24/21/554412421.db2.gz HYFXZYZHDVOXOP-SZMILACUSA-N 0 0 554.643 4.943 50 30 KJEARN C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000059612558 554412762 /nfs/dbraw/zinc/41/27/62/554412762.db2.gz LHVDPWCHACYIDS-UHFFFAOYSA-N 0 0 521.386 4.591 50 30 KJEARN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 ZINC000059612680 554412928 /nfs/dbraw/zinc/41/29/28/554412928.db2.gz VJNYMPIHTHWKLS-UHFFFAOYSA-N 0 0 539.679 4.557 50 30 KJEARN C=CCn1c(CCNC(=O)c2ccc(F)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000059626900 554415192 /nfs/dbraw/zinc/41/51/92/554415192.db2.gz VXHBHMFGBXONDQ-UHFFFAOYSA-N 0 0 536.658 4.738 50 30 KJEARN C=CCN1c2ccccc2[C@@]2(c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)C1=O ZINC000059627305 554415884 /nfs/dbraw/zinc/41/58/84/554415884.db2.gz NQHBQYHPPYZKMW-WJOKGBTCSA-N 0 0 557.002 4.938 50 30 KJEARN C=CCN1c2ccccc2[C@]2(c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)C1=O ZINC000059627307 554415899 /nfs/dbraw/zinc/41/58/99/554415899.db2.gz NQHBQYHPPYZKMW-HKBQPEDESA-N 0 0 557.002 4.938 50 30 KJEARN COc1cc(Br)c(Br)c(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1O ZINC000059706107 554425783 /nfs/dbraw/zinc/42/57/83/554425783.db2.gz AZWBFVDHABZCMT-CFRMEGHHSA-N 0 0 569.302 4.537 50 30 KJEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000059706187 554425644 /nfs/dbraw/zinc/42/56/44/554425644.db2.gz JMFBHTWRSFORRR-LJJBLSSYSA-N 0 0 603.922 4.788 50 30 KJEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000059706189 554425743 /nfs/dbraw/zinc/42/57/43/554425743.db2.gz JMFBHTWRSFORRR-CVGPFBNFSA-N 0 0 603.922 4.788 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000059735184 554427096 /nfs/dbraw/zinc/42/70/96/554427096.db2.gz UPMVENFFJFSXEN-NTVKUAIWSA-N 0 0 563.647 4.805 50 30 KJEARN C=CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000059778240 554429320 /nfs/dbraw/zinc/42/93/20/554429320.db2.gz AQKPYEMYZZRZOL-UHFFFAOYSA-N 0 0 534.667 4.817 50 30 KJEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000059824261 554431791 /nfs/dbraw/zinc/43/17/91/554431791.db2.gz 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CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000059873730 554456709 /nfs/dbraw/zinc/45/67/09/554456709.db2.gz SNDQSRQUKYMOFF-QSEAXJEQSA-N 0 0 564.638 4.705 50 30 KJEARN CC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(CN3CCOCC3)c2O)c(O)c(CN2CCOCC2)c1 ZINC000060290876 554504997 /nfs/dbraw/zinc/50/49/97/554504997.db2.gz MAEYPXSULABSLQ-JTOYJDTJSA-N 0 0 578.798 4.895 50 30 KJEARN C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@H]3C=C(COC(=O)Cc1cc(O)cc(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000060292507 554505505 /nfs/dbraw/zinc/50/55/05/554505505.db2.gz IKYCZSUNGFRBJS-BPJBDHDQSA-N 0 0 628.718 4.745 50 30 KJEARN C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1cc(O)cc(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000060292508 291855954 /nfs/dbraw/zinc/85/59/54/291855954.db2.gz IKYCZSUNGFRBJS-LJUYKXQNSA-N 0 0 628.718 4.745 50 30 biogenic,in-vitro KJEARN O=C1c2ccccc2C(=O)C(N2CCC(Cc3ccccc3)CC2)=C1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000061866849 554505885 /nfs/dbraw/zinc/50/58/85/554505885.db2.gz STUCPZRBKABEKW-UHFFFAOYSA-N 0 0 521.038 4.864 50 30 KJEARN COc1ccc(C(=O)Nc2ccc(C(=O)C3=Cc4cc(OC)c(OC)cc4CCN3C)cc2)cc1OC ZINC000062001353 554506370 /nfs/dbraw/zinc/50/63/70/554506370.db2.gz MZYLHYBQOXQKRA-UHFFFAOYSA-N 0 0 502.567 4.685 50 30 biogenic KJEARN N#CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 ZINC000066129614 554528779 /nfs/dbraw/zinc/52/87/79/554528779.db2.gz QRDUZVYIDRHRPE-QFIPXVFZSA-N 0 0 537.326 4.746 50 30 KJEARN N#CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 ZINC000066129616 554528889 /nfs/dbraw/zinc/52/88/89/554528889.db2.gz QRDUZVYIDRHRPE-JOCHJYFZSA-N 0 0 537.326 4.746 50 30 KJEARN Nc1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000068572927 554540073 /nfs/dbraw/zinc/54/00/73/554540073.db2.gz DVNWKWUMRTVLAR-UHFFFAOYSA-N 0 0 519.246 4.941 50 30 KJEARN O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575156 554540078 /nfs/dbraw/zinc/54/00/78/554540078.db2.gz NYSRYFACITWHGT-UHFFFAOYSA-N 0 0 533.178 4.855 50 30 KJEARN O=C(N1CCOCC1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575701 553591232 /nfs/dbraw/zinc/59/12/32/553591232.db2.gz SDCKSDMRHLPCBU-POYBYMJQSA-N 0 0 565.176 4.718 50 30 KJEARN O=C(N1CCOCC1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575703 553591137 /nfs/dbraw/zinc/59/11/37/553591137.db2.gz SDCKSDMRHLPCBU-HTRCEHHLSA-N 0 0 565.176 4.718 50 30 KJEARN O=C(N1CCOCC1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575705 553591247 /nfs/dbraw/zinc/59/12/47/553591247.db2.gz SDCKSDMRHLPCBU-XPUUQOCRSA-N 0 0 565.176 4.718 50 30 KJEARN O=C(N1CCOCC1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575708 553591169 /nfs/dbraw/zinc/59/11/69/553591169.db2.gz SDCKSDMRHLPCBU-SVRRBLITSA-N 0 0 565.176 4.718 50 30 KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(F)cc1 ZINC000070692171 553609802 /nfs/dbraw/zinc/60/98/02/553609802.db2.gz GQSYYJDKBKHBDE-MXCDKWNYSA-N 0 0 567.698 4.640 50 30 biogenic KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000070692186 553610149 /nfs/dbraw/zinc/61/01/49/553610149.db2.gz LHZFPJRWVSARAO-OGIUWMDNSA-N 0 0 588.745 4.982 50 30 biogenic KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000070692286 553610903 /nfs/dbraw/zinc/61/09/03/553610903.db2.gz YDMCLXDDLUXFDR-ITDCJWFVSA-N 0 0 523.670 4.980 50 30 biogenic KJEARN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5ccccc5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692329 553611155 /nfs/dbraw/zinc/61/11/55/553611155.db2.gz SGVBIHAXVPJFAC-LXAIHHEDSA-N 0 0 546.708 4.587 50 30 biogenic KJEARN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](Cc5ccccc5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692330 553611147 /nfs/dbraw/zinc/61/11/47/553611147.db2.gz SGVBIHAXVPJFAC-DKXZHCORSA-N 0 0 546.708 4.587 50 30 biogenic KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccc(F)cc1 ZINC000070697236 553612513 /nfs/dbraw/zinc/61/25/13/553612513.db2.gz OBUVKXAZXZBFED-CFRHILBGSA-N 0 0 553.671 4.597 50 30 biogenic KJEARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697347 553612855 /nfs/dbraw/zinc/61/28/55/553612855.db2.gz OALMXEBVZQVGQD-FSQQAFTQSA-N 0 0 565.707 4.816 50 30 biogenic KJEARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697352 553612799 /nfs/dbraw/zinc/61/27/99/553612799.db2.gz OALMXEBVZQVGQD-KQDKTYLCSA-N 0 0 565.707 4.816 50 30 biogenic KJEARN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CC)C[C@@]21C ZINC000070698110 553613891 /nfs/dbraw/zinc/61/38/91/553613891.db2.gz MWHBGLRGUXAGHT-HQOTWLLBSA-N 0 0 560.659 4.778 50 30 biogenic KJEARN COC(=O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 ZINC000070698209 553613867 /nfs/dbraw/zinc/61/38/67/553613867.db2.gz IXSDSZNQCWGEKV-ZQKKQCRHSA-N 0 0 635.754 4.743 50 30 biogenic KJEARN COC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 ZINC000070698216 553613860 /nfs/dbraw/zinc/61/38/60/553613860.db2.gz IXSDSZNQCWGEKV-AQIOLROGSA-N 0 0 635.754 4.743 50 30 biogenic KJEARN CCOC(=O)[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H](O)c1ccccc1 ZINC000070698509 553614424 /nfs/dbraw/zinc/61/44/24/553614424.db2.gz ZFMANMRQOQBFKO-CNRHZRJDSA-N 0 0 579.734 4.992 50 30 biogenic KJEARN COc1ccc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1OC ZINC000070698554 553614434 /nfs/dbraw/zinc/61/44/34/553614434.db2.gz UPWSSCXHVGUGOA-LEOOHTRYSA-N 0 0 609.760 4.518 50 30 biogenic KJEARN COC(=O)[C@@H](NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)c1ccccc1 ZINC000070698841 553614957 /nfs/dbraw/zinc/61/49/57/553614957.db2.gz HSDUZLDYSMQAPM-AQJLTMBMSA-N 0 0 508.659 4.713 50 30 biogenic KJEARN COC(=O)[C@H](NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)c1ccccc1 ZINC000070698845 553614985 /nfs/dbraw/zinc/61/49/85/553614985.db2.gz HSDUZLDYSMQAPM-LCVLRSIESA-N 0 0 508.659 4.713 50 30 biogenic KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccccc1 ZINC000070698874 553614978 /nfs/dbraw/zinc/61/49/78/553614978.db2.gz SQZLURXSKWOJNM-MXCDKWNYSA-N 0 0 549.708 4.501 50 30 biogenic KJEARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000070700226 553617931 /nfs/dbraw/zinc/61/79/31/553617931.db2.gz BZFPOLTTZCWCHL-NTFJREMNSA-N 0 0 564.723 4.845 50 30 KJEARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070700229 553618026 /nfs/dbraw/zinc/61/80/26/553618026.db2.gz BZFPOLTTZCWCHL-BKJROJODSA-N 0 0 564.723 4.845 50 30 KJEARN COc1ccc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 ZINC000070705393 553625302 /nfs/dbraw/zinc/62/53/02/553625302.db2.gz PXWJXRKZSOAIFC-JGTMOELQSA-N 0 0 579.734 4.509 50 30 biogenic KJEARN COc1ccc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 ZINC000070705397 553625330 /nfs/dbraw/zinc/62/53/30/553625330.db2.gz PXWJXRKZSOAIFC-YYSRTXTISA-N 0 0 579.734 4.509 50 30 biogenic KJEARN COc1ccc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)cc1 ZINC000070705401 553625281 /nfs/dbraw/zinc/62/52/81/553625281.db2.gz PXWJXRKZSOAIFC-ZDRSBTPASA-N 0 0 579.734 4.509 50 30 biogenic KJEARN COc1ccc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)cc1 ZINC000070705408 553625395 /nfs/dbraw/zinc/62/53/95/553625395.db2.gz PXWJXRKZSOAIFC-FVMRMLCUSA-N 0 0 579.734 4.509 50 30 biogenic KJEARN O=[N+]([O-])c1ccc(N2CCN(CC#CC[C@](O)(c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000071260628 553634725 /nfs/dbraw/zinc/63/47/25/553634725.db2.gz OQHFWNLXMCOJJY-MHZLTWQESA-N 0 0 520.427 4.809 50 30 KJEARN O=[N+]([O-])c1ccc(N2CCN(CC#CC[C@@](O)(c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000071260629 553634778 /nfs/dbraw/zinc/63/47/78/553634778.db2.gz OQHFWNLXMCOJJY-HHHXNRCGSA-N 0 0 520.427 4.809 50 30 KJEARN CC(C)OC1=C(OC(C)C)[C@@]2(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H](C)[C@@H](C)[C@H](C)[C@@]2(C)C1=O ZINC000071786689 553637511 /nfs/dbraw/zinc/63/75/11/553637511.db2.gz YZVPIOFXVFZBKC-IIVAZTLSSA-N 0 0 504.536 4.971 50 30 KJEARN CC(C)OC1=C(OC(C)C)[C@]2(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H](C1=O)[C@@H](C)C1=CCC[C@@H]12 ZINC000071786691 553637453 /nfs/dbraw/zinc/63/74/53/553637453.db2.gz XLBWDJNOSAUYCD-IXTHIEJOSA-N 0 0 500.504 4.645 50 30 KJEARN CCO[P@]1(=O)N=C(NC2=NC(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O2)N(C)C1(C)C ZINC000073311282 553653176 /nfs/dbraw/zinc/65/31/76/553653176.db2.gz UUGZYRFHUQTTQS-DHUJRADRSA-N 0 0 562.248 4.888 50 30 KJEARN CCO[P@@]1(=O)N=C(NC2=NC(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O2)N(C)C1(C)C ZINC000073311283 553653429 /nfs/dbraw/zinc/65/34/29/553653429.db2.gz UUGZYRFHUQTTQS-PGUFJCEWSA-N 0 0 562.248 4.888 50 30 KJEARN COc1ccccc1C(=O)Nc1cc(C(=O)C2=Cc3c(cc4c(c3OC)OCO4)CCN2C)ccc1C ZINC000079188622 553666761 /nfs/dbraw/zinc/66/67/61/553666761.db2.gz GVGPDGZQJDVAQX-UHFFFAOYSA-N 0 0 500.551 4.705 50 30 biogenic KJEARN COc1c2c(cc3c1C=C(C(=O)c1ccc(C)c(NC(=O)Cn4cnc(Cl)c4Cl)c1)N(C)CC3)OCO2 ZINC000079191223 553668055 /nfs/dbraw/zinc/66/80/55/553668055.db2.gz XPYIWSFPSZDCLX-UHFFFAOYSA-N 0 0 543.407 4.586 50 30 biogenic KJEARN COc1ccc(C(=O)Nc2cc(C(=O)C3=Cc4c(cc5c(c4OC)OCO5)CCN3C)ccc2C)cc1 ZINC000079193523 553669038 /nfs/dbraw/zinc/66/90/38/553669038.db2.gz SBZUWNBCLUYPFI-UHFFFAOYSA-N 0 0 500.551 4.705 50 30 biogenic KJEARN COc1c2c(cc3c1C=C(C(=O)c1ccc(C)c(NC(=O)c4ccc(Cl)nc4)c1)N(C)CC3)OCO2 ZINC000079194203 553669257 /nfs/dbraw/zinc/66/92/57/553669257.db2.gz SVDMCBXQKYEFEA-UHFFFAOYSA-N 0 0 505.958 4.745 50 30 biogenic KJEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000079221055 553671488 /nfs/dbraw/zinc/67/14/88/553671488.db2.gz IBVOOZDRGGOZSS-GRLKEMGDSA-N 0 0 646.781 4.524 50 30 biogenic KJEARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000079221062 553671481 /nfs/dbraw/zinc/67/14/81/553671481.db2.gz IBVOOZDRGGOZSS-BMKDPJBMSA-N 0 0 646.781 4.524 50 30 biogenic KJEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000079221090 553671504 /nfs/dbraw/zinc/67/15/04/553671504.db2.gz YOWPTSSNYPDMHV-DHDIQJJWSA-N 0 0 675.863 4.922 50 30 biogenic KJEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC[C@@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000079221096 553671915 /nfs/dbraw/zinc/67/19/15/553671915.db2.gz YOWPTSSNYPDMHV-XZNGPUKWSA-N 0 0 675.863 4.922 50 30 biogenic KJEARN CC[C@@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1/C=N/N=C/c1c(CCN(C)C(=S)N[C@@H](C)CC)cc3c(c1OC)OCO3)OCO2 ZINC000079221282 553671917 /nfs/dbraw/zinc/67/19/17/553671917.db2.gz PLEGRERFFPCAOL-OQSGEIOQSA-N 0 0 700.928 4.909 50 30 biogenic KJEARN CC[C@@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1/C=N/N=C/c1c(CCN(C)C(=S)N[C@H](C)CC)cc3c(c1OC)OCO3)OCO2 ZINC000079221286 553671897 /nfs/dbraw/zinc/67/18/97/553671897.db2.gz PLEGRERFFPCAOL-XDVRQZAXSA-N 0 0 700.928 4.909 50 30 biogenic KJEARN CC[C@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1/C=N/N=C/c1c(CCN(C)C(=S)N[C@@H](C)CC)cc3c(c1OC)OCO3)OCO2 ZINC000079221288 553671902 /nfs/dbraw/zinc/67/19/02/553671902.db2.gz PLEGRERFFPCAOL-QRLIHJEHSA-N 0 0 700.928 4.909 50 30 biogenic KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000079221552 553671923 /nfs/dbraw/zinc/67/19/23/553671923.db2.gz WGHFGHYPJUVVDL-ONLXOWIQSA-N 0 0 694.866 4.589 50 30 biogenic KJEARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000079221560 553671912 /nfs/dbraw/zinc/67/19/12/553671912.db2.gz WGHFGHYPJUVVDL-QMPPHMLZSA-N 0 0 694.866 4.589 50 30 biogenic KJEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000079221565 553672105 /nfs/dbraw/zinc/67/21/05/553672105.db2.gz WGHFGHYPJUVVDL-CSVFZCIWSA-N 0 0 694.866 4.589 50 30 biogenic KJEARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000079221571 553672152 /nfs/dbraw/zinc/67/21/52/553672152.db2.gz WGHFGHYPJUVVDL-HENNPWCBSA-N 0 0 694.866 4.589 50 30 biogenic KJEARN CC(C)(F)C[C@@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 ZINC000083259421 553676296 /nfs/dbraw/zinc/67/62/96/553676296.db2.gz FWIVDMJALNEADT-RTWAWAEBSA-N 0 0 525.568 4.629 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2C#N)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(F)cc2F)C1 ZINC000085409777 553680379 /nfs/dbraw/zinc/68/03/79/553680379.db2.gz XZYYFOMCTOSLRZ-NANFOGFDSA-N 0 0 528.596 4.763 50 30 KJEARN CC(C)CNC(=O)[C@]1(OCc2ccccc2C#N)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccc(F)cc2F)C1 ZINC000085409780 553680311 /nfs/dbraw/zinc/68/03/11/553680311.db2.gz XZYYFOMCTOSLRZ-XWDJFTLGSA-N 0 0 528.596 4.763 50 30 KJEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)C(C)(C)C)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085898588 553690876 /nfs/dbraw/zinc/69/08/76/553690876.db2.gz YFJXUANYXFYWKB-SAQGKJCTSA-N 0 0 779.880 4.876 50 30 KJEARN COC(=O)c1ccc(N2C(=O)C[C@H](SC(=NCc3ccccc3)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000085901866 553690966 /nfs/dbraw/zinc/69/09/66/553690966.db2.gz NGIOKXMHOZFYMR-QFIPXVFZSA-N 0 0 507.999 4.969 50 30 KJEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)c5ccco5)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085907534 553692338 /nfs/dbraw/zinc/69/23/38/553692338.db2.gz GOWHVAPOFRSWDN-BNHJAQKUSA-N 0 0 789.831 4.737 50 30 KJEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)C(C)(C)C)c3C)C(=O)C(=C(N(C)C)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085907535 553692335 /nfs/dbraw/zinc/69/23/35/553692335.db2.gz DKRBBFNVGJKSJY-ZXSKIZKSSA-N 0 0 822.949 4.766 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000085945219 553692554 /nfs/dbraw/zinc/69/25/54/553692554.db2.gz CPCBDBLEPFTRFG-XMMPIXPASA-N 0 0 525.989 4.621 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000085945220 553692476 /nfs/dbraw/zinc/69/24/76/553692476.db2.gz CPCBDBLEPFTRFG-DEOSSOPVSA-N 0 0 525.989 4.621 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000094979097 553697807 /nfs/dbraw/zinc/69/78/07/553697807.db2.gz OVDJRJVRVJFPMI-AREMUKBSSA-N 0 0 519.598 4.748 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000094979098 553697663 /nfs/dbraw/zinc/69/76/63/553697663.db2.gz OVDJRJVRVJFPMI-SANMLTNESA-N 0 0 519.598 4.748 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000094988281 553697813 /nfs/dbraw/zinc/69/78/13/553697813.db2.gz BSOXQBJYDQLYJH-AFMDSPMNSA-N 0 0 501.583 4.664 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000094988282 553697590 /nfs/dbraw/zinc/69/75/90/553697590.db2.gz BSOXQBJYDQLYJH-SIBVEZHUSA-N 0 0 501.583 4.664 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000094988283 553697777 /nfs/dbraw/zinc/69/77/77/553697777.db2.gz BSOXQBJYDQLYJH-NIYFSFCBSA-N 0 0 501.583 4.664 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000094988285 553697733 /nfs/dbraw/zinc/69/77/33/553697733.db2.gz BSOXQBJYDQLYJH-BCHFMIIMSA-N 0 0 501.583 4.664 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346152 553701008 /nfs/dbraw/zinc/70/10/08/553701008.db2.gz ZNHFPFSHGUGQBQ-WAIKUNEKSA-N 0 0 522.399 4.638 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346153 553701138 /nfs/dbraw/zinc/70/11/38/553701138.db2.gz ZNHFPFSHGUGQBQ-QMHKHESXSA-N 0 0 522.399 4.638 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346154 553701036 /nfs/dbraw/zinc/70/10/36/553701036.db2.gz ZNHFPFSHGUGQBQ-MWTRTKDXSA-N 0 0 522.399 4.638 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000095346155 553701099 /nfs/dbraw/zinc/70/10/99/553701099.db2.gz ZNHFPFSHGUGQBQ-HJPURHCSSA-N 0 0 522.399 4.638 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095483294 553702199 /nfs/dbraw/zinc/70/21/99/553702199.db2.gz JPNJWLIAOYPGKB-AREMUKBSSA-N 0 0 517.582 4.502 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095483295 553702234 /nfs/dbraw/zinc/70/22/34/553702234.db2.gz JPNJWLIAOYPGKB-SANMLTNESA-N 0 0 517.582 4.502 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000095483801 553702137 /nfs/dbraw/zinc/70/21/37/553702137.db2.gz NDZVGBWUYUMDJJ-QFIPXVFZSA-N 0 0 510.934 4.512 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000095483802 553702126 /nfs/dbraw/zinc/70/21/26/553702126.db2.gz NDZVGBWUYUMDJJ-JOCHJYFZSA-N 0 0 510.934 4.512 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000095483817 553702480 /nfs/dbraw/zinc/70/24/80/553702480.db2.gz ATGWLXRPRDJVTB-DEOSSOPVSA-N 0 0 525.989 4.621 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000095483818 553702471 /nfs/dbraw/zinc/70/24/71/553702471.db2.gz ATGWLXRPRDJVTB-XMMPIXPASA-N 0 0 525.989 4.621 50 30 KJEARN COc1ccc(N2C(=O)C[C@H](SC(=NCCc3ccc(OC)c(OC)c3)Nc3ccccc3)C2=O)cc1 ZINC000095528649 553702461 /nfs/dbraw/zinc/70/24/61/553702461.db2.gz DLUDFMQLEZCPNA-VWLOTQADSA-N 0 0 519.623 4.598 50 30 KJEARN CC(C)[C@H](NC(=NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)C(N)=O ZINC000095574163 553705061 /nfs/dbraw/zinc/70/50/61/553705061.db2.gz GTCSIQFTNPTSLO-RPWUZVMVSA-N 0 0 572.518 4.641 50 30 in-vitro KJEARN COc1ccc(/C=N\NS(=O)(=O)c2ccc(-c3nc(C)oc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1OC ZINC000095660879 553706742 /nfs/dbraw/zinc/70/67/42/553706742.db2.gz FWQNKWPAMCVONK-YSMPRRRNSA-N 0 0 522.539 4.555 50 30 KJEARN CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095707718 553709414 /nfs/dbraw/zinc/70/94/14/553709414.db2.gz HUFHNYZNTFSKCT-UHFFFAOYSA-N 0 0 571.249 4.597 50 30 KJEARN O=C(OC[C@H]1OC/C(=N\OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000095722707 553710118 /nfs/dbraw/zinc/71/01/18/553710118.db2.gz ASQKIHLKOLCHRP-VLETUGBVSA-N 0 0 593.588 4.906 50 30 KJEARN CCOc1ccccc1C(=O)NC(N(C)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000095725689 553710648 /nfs/dbraw/zinc/71/06/48/553710648.db2.gz VFTLCEPEHCCERJ-LJQANCHMSA-N 0 0 576.412 4.695 50 30 KJEARN CCOc1ccccc1C(=O)NC(N(C)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000095725690 553710620 /nfs/dbraw/zinc/71/06/20/553710620.db2.gz VFTLCEPEHCCERJ-IBGZPJMESA-N 0 0 576.412 4.695 50 30 KJEARN CCOc1ccccc1C(=O)NC(Nc1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1C)(C(F)(F)F)C(F)(F)F ZINC000095725693 553710626 /nfs/dbraw/zinc/71/06/26/553710626.db2.gz SUIHYKPBNZJORS-LJQANCHMSA-N 0 0 576.412 4.979 50 30 KJEARN CCOc1ccccc1C(=O)NC(Nc1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1C)(C(F)(F)F)C(F)(F)F ZINC000095725694 553710657 /nfs/dbraw/zinc/71/06/57/553710657.db2.gz SUIHYKPBNZJORS-IBGZPJMESA-N 0 0 576.412 4.979 50 30 KJEARN CCOc1ccccc1C(=O)NC(Nc1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000095725701 553710823 /nfs/dbraw/zinc/71/08/23/553710823.db2.gz DEAVIPAWVRHNDC-GOSISDBHSA-N 0 0 562.385 4.671 50 30 KJEARN CCOc1ccccc1C(=O)NC(Nc1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000095725702 553710799 /nfs/dbraw/zinc/71/07/99/553710799.db2.gz DEAVIPAWVRHNDC-SFHVURJKSA-N 0 0 562.385 4.671 50 30 KJEARN CCOC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095725705 553710820 /nfs/dbraw/zinc/71/08/20/553710820.db2.gz YCKAACXWWYAYLA-SFHVURJKSA-N 0 0 546.386 4.971 50 30 KJEARN CCOC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095725706 553710773 /nfs/dbraw/zinc/71/07/73/553710773.db2.gz YCKAACXWWYAYLA-GOSISDBHSA-N 0 0 546.386 4.971 50 30 KJEARN COC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095725707 553710766 /nfs/dbraw/zinc/71/07/66/553710766.db2.gz UKCPSLPPPBZKKU-QGZVFWFLSA-N 0 0 532.359 4.581 50 30 KJEARN COC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095725708 553710784 /nfs/dbraw/zinc/71/07/84/553710784.db2.gz UKCPSLPPPBZKKU-KRWDZBQOSA-N 0 0 532.359 4.581 50 30 KJEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742741 553712380 /nfs/dbraw/zinc/71/23/80/553712380.db2.gz 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/nfs/dbraw/zinc/76/08/06/553760806.db2.gz VSEWNYGKPUCWCP-OLILMLBXSA-N 0 0 559.615 4.752 50 30 KJEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC)[C@@H]3c2coc3ccccc3c2=O)cc1OC ZINC000097939736 553760776 /nfs/dbraw/zinc/76/07/76/553760776.db2.gz VSEWNYGKPUCWCP-WRONEBCDSA-N 0 0 559.615 4.752 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1coc2ccccc2c1=O ZINC000097939754 553761003 /nfs/dbraw/zinc/76/10/03/553761003.db2.gz RVYAGXBJOFFMNY-SGHJWQDXSA-N 0 0 541.600 4.885 50 30 KJEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1coc2ccccc2c1=O ZINC000097939755 553761107 /nfs/dbraw/zinc/76/11/07/553761107.db2.gz RVYAGXBJOFFMNY-QWQFASRJSA-N 0 0 541.600 4.885 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1OC ZINC000097939986 553763057 /nfs/dbraw/zinc/76/30/57/553763057.db2.gz BTFJKAMLACKNDK-PRPYNDMISA-N 0 0 596.540 4.766 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc(Br)c1OC ZINC000097939988 553763079 /nfs/dbraw/zinc/76/30/79/553763079.db2.gz BTFJKAMLACKNDK-VQUVXCFPSA-N 0 0 596.540 4.766 50 30 KJEARN CCNc1nc(OCC(F)(F)F)nc(N2CCN(c3nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n3)CC2)n1 ZINC000097940227 553763837 /nfs/dbraw/zinc/76/38/37/553763837.db2.gz LNMTVXYIFVLKKE-UHFFFAOYSA-N 0 0 717.394 4.500 50 30 KJEARN CN(C)c1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(N(C)C)cc3)c2C#N)cc1 ZINC000097940247 553764087 /nfs/dbraw/zinc/76/40/87/553764087.db2.gz WLXQMDBBYAIBAV-UHFFFAOYSA-N 0 0 526.713 4.608 50 30 KJEARN O=C(N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1)C(F)(F)C(F)(F)C(F)(F)F ZINC000097940639 553766749 /nfs/dbraw/zinc/76/67/49/553766749.db2.gz UJTHFWVZZLARCU-UHFFFAOYSA-N 0 0 504.328 4.644 50 30 KJEARN O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000097940654 553766948 /nfs/dbraw/zinc/76/69/48/553766948.db2.gz CPAPGCRTEICZBL-UHFFFAOYSA-N 0 0 532.391 4.586 50 30 KJEARN O=S(=O)(c1cccs1)N(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)S(=O)(=O)c1cccs1 ZINC000097945380 553771648 /nfs/dbraw/zinc/77/16/48/553771648.db2.gz NSBPCNAECHKPIM-UHFFFAOYSA-N 0 0 525.470 4.969 50 30 KJEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3ccn(-c4nc(-c5cnn(C)c5)cc(C(F)(F)F)n4)n3)sc2C1 ZINC000097945432 553772188 /nfs/dbraw/zinc/77/21/88/553772188.db2.gz ZXVFBWYTJCCXSR-CYBMUJFWSA-N 0 0 526.548 4.782 50 30 KJEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3ccn(-c4nc(-c5cnn(C)c5)cc(C(F)(F)F)n4)n3)sc2C1 ZINC000097945433 553772143 /nfs/dbraw/zinc/77/21/43/553772143.db2.gz ZXVFBWYTJCCXSR-ZDUSSCGKSA-N 0 0 526.548 4.782 50 30 KJEARN Cc1c(C#N)c(NC(=O)CCC(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)sc1C(=O)OC(C)C ZINC000097945526 553772905 /nfs/dbraw/zinc/77/29/05/553772905.db2.gz CTVJRCCRILGOBF-UHFFFAOYSA-N 0 0 530.628 4.658 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097946057 553776106 /nfs/dbraw/zinc/77/61/06/553776106.db2.gz QQMBUZCDHFRIHO-PLNPHXOGSA-N 0 0 616.699 4.742 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097946058 553776130 /nfs/dbraw/zinc/77/61/30/553776130.db2.gz QQMBUZCDHFRIHO-LLXISZFLSA-N 0 0 616.699 4.742 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946083 553776506 /nfs/dbraw/zinc/77/65/06/553776506.db2.gz CEJWQHMMEWDOAU-XXMKCSCWSA-N 0 0 579.005 4.569 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946085 553776508 /nfs/dbraw/zinc/77/65/08/553776508.db2.gz CEJWQHMMEWDOAU-XSZPGNIMSA-N 0 0 579.005 4.569 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946184 553777120 /nfs/dbraw/zinc/77/71/20/553777120.db2.gz LPGANLUIQOSREO-PLNPHXOGSA-N 0 0 618.715 4.834 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946185 553777124 /nfs/dbraw/zinc/77/71/24/553777124.db2.gz LPGANLUIQOSREO-LLXISZFLSA-N 0 0 618.715 4.834 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946204 553777493 /nfs/dbraw/zinc/77/74/93/553777493.db2.gz VDFSRTJZJIEANF-POKSHJSXSA-N 0 0 606.679 4.965 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946205 553777436 /nfs/dbraw/zinc/77/74/36/553777436.db2.gz VDFSRTJZJIEANF-KUSDHMTMSA-N 0 0 606.679 4.965 50 30 KJEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2NCCCn2ccnc2)SC1=S ZINC000097946333 553778473 /nfs/dbraw/zinc/77/84/73/553778473.db2.gz JEJDHDOCQSIHMV-FXBPSFAMSA-N 0 0 524.716 4.873 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000097946620 553780533 /nfs/dbraw/zinc/78/05/33/553780533.db2.gz VRMIYDFJDONRNJ-RRFFURKPSA-N 0 0 551.715 4.801 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000097946621 553780522 /nfs/dbraw/zinc/78/05/22/553780522.db2.gz VRMIYDFJDONRNJ-UCHNXLLDSA-N 0 0 551.715 4.801 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097946753 553781651 /nfs/dbraw/zinc/78/16/51/553781651.db2.gz DJJSKNLELQBTGB-ABSORMQESA-N 0 0 534.590 4.828 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097946754 553781694 /nfs/dbraw/zinc/78/16/94/553781694.db2.gz DJJSKNLELQBTGB-BWSGXRDBSA-N 0 0 534.590 4.828 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097947125 553783900 /nfs/dbraw/zinc/78/39/00/553783900.db2.gz LHHDJWQHGHFKTO-JQTKYWOZSA-N 0 0 594.718 4.887 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097947126 553783943 /nfs/dbraw/zinc/78/39/43/553783943.db2.gz LHHDJWQHGHFKTO-GBIJUZDQSA-N 0 0 594.718 4.887 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000097947473 553786557 /nfs/dbraw/zinc/78/65/57/553786557.db2.gz YILFBAOKWHBHRB-JOHYPREOSA-N 0 0 660.752 4.921 50 30 KJEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000097947474 553786495 /nfs/dbraw/zinc/78/64/95/553786495.db2.gz YILFBAOKWHBHRB-QZVQSRICSA-N 0 0 660.752 4.921 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947481 553786547 /nfs/dbraw/zinc/78/65/47/553786547.db2.gz FHHVZHGCEBFWDN-OTHIGLTOSA-N 0 0 676.751 4.760 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947482 553786499 /nfs/dbraw/zinc/78/64/99/553786499.db2.gz FHHVZHGCEBFWDN-JBVGNYNVSA-N 0 0 676.751 4.760 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097947501 553786849 /nfs/dbraw/zinc/78/68/49/553786849.db2.gz WUFDPTJRRFXAMZ-PLNPHXOGSA-N 0 0 646.725 4.612 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000097947502 553786799 /nfs/dbraw/zinc/78/67/99/553786799.db2.gz WUFDPTJRRFXAMZ-LLXISZFLSA-N 0 0 646.725 4.612 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947634 553787618 /nfs/dbraw/zinc/78/76/18/553787618.db2.gz QNJGYFUVXPPDOE-JOHYPREOSA-N 0 0 646.725 4.751 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947635 553787636 /nfs/dbraw/zinc/78/76/36/553787636.db2.gz QNJGYFUVXPPDOE-QZVQSRICSA-N 0 0 646.725 4.751 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000097947646 553787813 /nfs/dbraw/zinc/78/78/13/553787813.db2.gz YYDKTNBPSRRURC-UYUFHXMSSA-N 0 0 608.160 4.765 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000097947647 553787786 /nfs/dbraw/zinc/78/77/86/553787786.db2.gz YYDKTNBPSRRURC-IECPXTFPSA-N 0 0 608.160 4.765 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947667 553788085 /nfs/dbraw/zinc/78/80/85/553788085.db2.gz KOBCNJSXEHDJQT-DFXMODJXSA-N 0 0 634.689 4.882 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947668 553788051 /nfs/dbraw/zinc/78/80/51/553788051.db2.gz KOBCNJSXEHDJQT-DTDQMKFYSA-N 0 0 634.689 4.882 50 30 KJEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000097948194 553792026 /nfs/dbraw/zinc/79/20/26/553792026.db2.gz NFICYQJDEJCODB-MHZLTWQESA-N 0 0 556.623 4.794 50 30 KJEARN C=CCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)nnc1[C@H](C)Oc1ccc(CC)cc1 ZINC000097948457 553793861 /nfs/dbraw/zinc/79/38/61/553793861.db2.gz KOVOJABXNNWWJQ-KRWDZBQOSA-N 0 0 571.725 4.756 50 30 KJEARN C=CCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)nnc1[C@@H](C)Oc1ccc(CC)cc1 ZINC000097948458 553793887 /nfs/dbraw/zinc/79/38/87/553793887.db2.gz KOVOJABXNNWWJQ-QGZVFWFLSA-N 0 0 571.725 4.756 50 30 KJEARN O=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097948524 553794690 /nfs/dbraw/zinc/79/46/90/553794690.db2.gz SUXPXRRCOYYVKW-UHFFFAOYSA-N 0 0 578.194 4.594 50 30 KJEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000097948632 553795536 /nfs/dbraw/zinc/79/55/36/553795536.db2.gz RREQFEWCAWSGQV-MHZLTWQESA-N 0 0 588.620 4.980 50 30 KJEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000097948633 553795532 /nfs/dbraw/zinc/79/55/32/553795532.db2.gz RREQFEWCAWSGQV-HHHXNRCGSA-N 0 0 588.620 4.980 50 30 KJEARN CCCCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O ZINC000097949676 553802786 /nfs/dbraw/zinc/80/27/86/553802786.db2.gz HBQCLKMNPPHSBX-UHFFFAOYSA-N 0 0 524.637 4.806 50 30 KJEARN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C1=NCCN1)C(F)(F)F ZINC000097949759 553803165 /nfs/dbraw/zinc/80/31/65/553803165.db2.gz NXKVBHDKZACZKV-UJURSFKZSA-N 0 0 520.139 4.861 50 30 KJEARN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C1=NCCN1)C(F)(F)F ZINC000097949760 553803190 /nfs/dbraw/zinc/80/31/90/553803190.db2.gz NXKVBHDKZACZKV-INEUFUBQSA-N 0 0 520.139 4.861 50 30 KJEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C1=NCCN1)C(F)(F)F ZINC000097949761 553803200 /nfs/dbraw/zinc/80/32/00/553803200.db2.gz NXKVBHDKZACZKV-NJGYIYPDSA-N 0 0 520.139 4.861 50 30 KJEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C1=NCCN1)C(F)(F)F ZINC000097949762 553803182 /nfs/dbraw/zinc/80/31/82/553803182.db2.gz NXKVBHDKZACZKV-XINAWCOVSA-N 0 0 520.139 4.861 50 30 KJEARN N#C[C@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097951075 553807066 /nfs/dbraw/zinc/80/70/66/553807066.db2.gz BDSNXKILSKLVKG-DEOSSOPVSA-N 0 0 544.581 4.941 50 30 KJEARN N#C[C@@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097951076 553807034 /nfs/dbraw/zinc/80/70/34/553807034.db2.gz BDSNXKILSKLVKG-XMMPIXPASA-N 0 0 544.581 4.941 50 30 KJEARN CCC(NC(=O)Nc1ncn(C(=O)NC(CC)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000097951230 553807798 /nfs/dbraw/zinc/80/77/98/553807798.db2.gz GVQKWTUWWNDFSD-UHFFFAOYSA-N 0 0 526.282 4.518 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097951445 553809006 /nfs/dbraw/zinc/80/90/06/553809006.db2.gz DGKXDBVARHTHLH-AREMUKBSSA-N 0 0 540.657 4.730 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097951446 553809059 /nfs/dbraw/zinc/80/90/59/553809059.db2.gz DGKXDBVARHTHLH-SANMLTNESA-N 0 0 540.657 4.730 50 30 KJEARN C=CCn1c(Cc2nnc(SCC(=O)c3ccccc3)n2CC=C)nnc1SCC(=O)c1ccccc1 ZINC000097951491 553809395 /nfs/dbraw/zinc/80/93/95/553809395.db2.gz GRICNDFVZPZZQT-UHFFFAOYSA-N 0 0 530.679 4.782 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097951642 553810296 /nfs/dbraw/zinc/81/02/96/553810296.db2.gz DURUNEKZCBSKKP-HHHXNRCGSA-N 0 0 547.604 4.825 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097951643 553810262 /nfs/dbraw/zinc/81/02/62/553810262.db2.gz DURUNEKZCBSKKP-MHZLTWQESA-N 0 0 547.604 4.825 50 30 KJEARN CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)NC(C)(C)C)ccc1-2 ZINC000097951647 553810219 /nfs/dbraw/zinc/81/02/19/553810219.db2.gz ZSOJJFUEJBSRMP-UHFFFAOYSA-N 0 0 540.711 4.685 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097952201 553813844 /nfs/dbraw/zinc/81/38/44/553813844.db2.gz WNIHEGPLTJJKKR-HHHXNRCGSA-N 0 0 547.604 4.825 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097952202 553813814 /nfs/dbraw/zinc/81/38/14/553813814.db2.gz WNIHEGPLTJJKKR-MHZLTWQESA-N 0 0 547.604 4.825 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccs3)cc2)c1 ZINC000097952225 553814127 /nfs/dbraw/zinc/81/41/27/553814127.db2.gz WPZYOFIEBTXKRG-HHHXNRCGSA-N 0 0 532.662 4.936 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccs3)cc2)c1 ZINC000097952226 553814093 /nfs/dbraw/zinc/81/40/93/553814093.db2.gz WPZYOFIEBTXKRG-MHZLTWQESA-N 0 0 532.662 4.936 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000097952369 553815351 /nfs/dbraw/zinc/81/53/51/553815351.db2.gz XNDPIOOYKWGSPM-GDLZYMKVSA-N 0 0 542.632 4.580 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000097952370 553815389 /nfs/dbraw/zinc/81/53/89/553815389.db2.gz XNDPIOOYKWGSPM-LJAQVGFWSA-N 0 0 542.632 4.580 50 30 KJEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952420 553815662 /nfs/dbraw/zinc/81/56/62/553815662.db2.gz PWYXHCCZYPWNHT-RUZDIDTESA-N 0 0 501.583 4.620 50 30 KJEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952421 553815695 /nfs/dbraw/zinc/81/56/95/553815695.db2.gz PWYXHCCZYPWNHT-VWLOTQADSA-N 0 0 501.583 4.620 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000097952472 553816040 /nfs/dbraw/zinc/81/60/40/553816040.db2.gz NYGGKQYVFQTHCH-GDLZYMKVSA-N 0 0 542.632 4.580 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000097952473 553816007 /nfs/dbraw/zinc/81/60/07/553816007.db2.gz NYGGKQYVFQTHCH-LJAQVGFWSA-N 0 0 542.632 4.580 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097952935 553817802 /nfs/dbraw/zinc/81/78/02/553817802.db2.gz NHABYGMQIPQVDP-HHHXNRCGSA-N 0 0 547.608 4.510 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097952936 553817839 /nfs/dbraw/zinc/81/78/39/553817839.db2.gz NHABYGMQIPQVDP-MHZLTWQESA-N 0 0 547.608 4.510 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097952938 553817684 /nfs/dbraw/zinc/81/76/84/553817684.db2.gz BTKASXWXXZBCMY-KPURRNSFSA-N 0 0 548.680 4.736 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097952939 553818242 /nfs/dbraw/zinc/81/82/42/553818242.db2.gz BTKASXWXXZBCMY-PZGXJGMVSA-N 0 0 548.680 4.736 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097952940 553818251 /nfs/dbraw/zinc/81/82/51/553818251.db2.gz BTKASXWXXZBCMY-MNNSJKJDSA-N 0 0 548.680 4.736 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097952941 553818165 /nfs/dbraw/zinc/81/81/65/553818165.db2.gz BTKASXWXXZBCMY-ZTOMLWHTSA-N 0 0 548.680 4.736 50 30 KJEARN CCCCCCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000097952955 553818084 /nfs/dbraw/zinc/81/80/84/553818084.db2.gz IAFDVLFDGSUWQH-HSZRJFAPSA-N 0 0 503.661 4.883 50 30 KJEARN CCCCCCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000097952956 553818066 /nfs/dbraw/zinc/81/80/66/553818066.db2.gz IAFDVLFDGSUWQH-QHCPKHFHSA-N 0 0 503.661 4.883 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097952957 553818070 /nfs/dbraw/zinc/81/80/70/553818070.db2.gz SVBFXLJPHHEEFY-HHHXNRCGSA-N 0 0 530.577 4.819 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097952958 553818040 /nfs/dbraw/zinc/81/80/40/553818040.db2.gz SVBFXLJPHHEEFY-MHZLTWQESA-N 0 0 530.577 4.819 50 30 KJEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097952973 553818199 /nfs/dbraw/zinc/81/81/99/553818199.db2.gz GFZLBEVKBGFQFL-HHHXNRCGSA-N 0 0 528.561 4.595 50 30 KJEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097952974 553818178 /nfs/dbraw/zinc/81/81/78/553818178.db2.gz GFZLBEVKBGFQFL-MHZLTWQESA-N 0 0 528.561 4.595 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000097953028 553818935 /nfs/dbraw/zinc/81/89/35/553818935.db2.gz SYQGSVFDZLJATP-GDLZYMKVSA-N 0 0 542.632 4.580 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 ZINC000097953029 553818856 /nfs/dbraw/zinc/81/88/56/553818856.db2.gz SYQGSVFDZLJATP-LJAQVGFWSA-N 0 0 542.632 4.580 50 30 KJEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097953039 553818927 /nfs/dbraw/zinc/81/89/27/553818927.db2.gz YUPIKFSYWMYQIX-PZGXJGMVSA-N 0 0 548.680 4.880 50 30 KJEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097953040 553818838 /nfs/dbraw/zinc/81/88/38/553818838.db2.gz YUPIKFSYWMYQIX-ZTOMLWHTSA-N 0 0 548.680 4.880 50 30 KJEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097953041 553818903 /nfs/dbraw/zinc/81/89/03/553818903.db2.gz YUPIKFSYWMYQIX-KPURRNSFSA-N 0 0 548.680 4.880 50 30 KJEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097953042 553818877 /nfs/dbraw/zinc/81/88/77/553818877.db2.gz YUPIKFSYWMYQIX-MNNSJKJDSA-N 0 0 548.680 4.880 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097953116 553819516 /nfs/dbraw/zinc/81/95/16/553819516.db2.gz ZPGYDFFRPIACMJ-HHHXNRCGSA-N 0 0 547.608 4.510 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097953117 553819467 /nfs/dbraw/zinc/81/94/67/553819467.db2.gz ZPGYDFFRPIACMJ-MHZLTWQESA-N 0 0 547.608 4.510 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000097953132 553819458 /nfs/dbraw/zinc/81/94/58/553819458.db2.gz LJXUTJCXIZBJHB-MCMMXHMISA-N 0 0 540.366 4.858 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000097953133 553819523 /nfs/dbraw/zinc/81/95/23/553819523.db2.gz LJXUTJCXIZBJHB-WHEQGISXSA-N 0 0 540.366 4.858 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000097953134 553819555 /nfs/dbraw/zinc/81/95/55/553819555.db2.gz LJXUTJCXIZBJHB-DMZKTXOQSA-N 0 0 540.366 4.858 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000097953135 553819431 /nfs/dbraw/zinc/81/94/31/553819431.db2.gz LJXUTJCXIZBJHB-XMHCIUCPSA-N 0 0 540.366 4.858 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000097953143 553819815 /nfs/dbraw/zinc/81/98/15/553819815.db2.gz SFJSZPHQALWNIW-HHHXNRCGSA-N 0 0 539.625 4.896 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000097953144 553819683 /nfs/dbraw/zinc/81/96/83/553819683.db2.gz SFJSZPHQALWNIW-MHZLTWQESA-N 0 0 539.625 4.896 50 30 KJEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000097953167 553819694 /nfs/dbraw/zinc/81/96/94/553819694.db2.gz DSBBKPLQCIBUPZ-HHHXNRCGSA-N 0 0 531.609 4.892 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1 ZINC000097953991 553820645 /nfs/dbraw/zinc/82/06/45/553820645.db2.gz NYTOBTCVDVVDRR-GDLZYMKVSA-N 0 0 542.632 4.580 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1 ZINC000097953992 553820664 /nfs/dbraw/zinc/82/06/64/553820664.db2.gz NYTOBTCVDVVDRR-LJAQVGFWSA-N 0 0 542.632 4.580 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000097954000 553820640 /nfs/dbraw/zinc/82/06/40/553820640.db2.gz UMSCAJDIHCWJOH-MUUNZHRXSA-N 0 0 545.588 4.660 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000097954001 553820634 /nfs/dbraw/zinc/82/06/34/553820634.db2.gz UMSCAJDIHCWJOH-NDEPHWFRSA-N 0 0 545.588 4.660 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097954009 553820689 /nfs/dbraw/zinc/82/06/89/553820689.db2.gz ZRYIZLHBLRJJMD-XMMPIXPASA-N 0 0 530.558 4.868 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097954010 553820591 /nfs/dbraw/zinc/82/05/91/553820591.db2.gz ZRYIZLHBLRJJMD-DEOSSOPVSA-N 0 0 530.558 4.868 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097954057 553820839 /nfs/dbraw/zinc/82/08/39/553820839.db2.gz MRDBGGJXCUCWNU-XMMPIXPASA-N 0 0 530.558 4.868 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097954058 553820863 /nfs/dbraw/zinc/82/08/63/553820863.db2.gz MRDBGGJXCUCWNU-DEOSSOPVSA-N 0 0 530.558 4.868 50 30 KJEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000097954525 553823797 /nfs/dbraw/zinc/82/37/97/553823797.db2.gz PHMOHUAELWDDGO-UHFFFAOYSA-N 0 0 522.542 4.559 50 30 KJEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097954531 553823845 /nfs/dbraw/zinc/82/38/45/553823845.db2.gz SZQYASCSKWLELA-HHHXNRCGSA-N 0 0 548.533 4.602 50 30 KJEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CCc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097954532 553823857 /nfs/dbraw/zinc/82/38/57/553823857.db2.gz SZQYASCSKWLELA-MHZLTWQESA-N 0 0 548.533 4.602 50 30 KJEARN COc1ccc(CCC(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000097954573 553824157 /nfs/dbraw/zinc/82/41/57/553824157.db2.gz SYIPGWGVEIWALE-MUUNZHRXSA-N 0 0 544.570 4.739 50 30 KJEARN COc1ccc(CCC(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000097954574 553824092 /nfs/dbraw/zinc/82/40/92/553824092.db2.gz SYIPGWGVEIWALE-NDEPHWFRSA-N 0 0 544.570 4.739 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(C(=O)NCc3ccco3)c(-c3ccco3)c2C#N)cc1 ZINC000097954692 553824727 /nfs/dbraw/zinc/82/47/27/553824727.db2.gz BBTLBYWAOIQUDU-UHFFFAOYSA-N 0 0 544.589 4.952 50 30 KJEARN COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000097954761 553825371 /nfs/dbraw/zinc/82/53/71/553825371.db2.gz DAIUYIIZSYODFO-DEOSSOPVSA-N 0 0 542.592 4.993 50 30 KJEARN COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000097954762 553825370 /nfs/dbraw/zinc/82/53/70/553825370.db2.gz DAIUYIIZSYODFO-XMMPIXPASA-N 0 0 542.592 4.993 50 30 KJEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955194 553829377 /nfs/dbraw/zinc/82/93/77/553829377.db2.gz DCHHFRWCCWYDEC-RCDICMHDSA-N 0 0 534.590 4.743 50 30 KJEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955195 553829819 /nfs/dbraw/zinc/82/98/19/553829819.db2.gz DCHHFRWCCWYDEC-JLCFBVMHSA-N 0 0 534.590 4.743 50 30 KJEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955196 553829838 /nfs/dbraw/zinc/82/98/38/553829838.db2.gz DCHHFRWCCWYDEC-PEBXRYMYSA-N 0 0 534.590 4.743 50 30 KJEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955224 553829844 /nfs/dbraw/zinc/82/98/44/553829844.db2.gz RZVIJQUCNHZVMH-NPMXOYFQSA-N 0 0 546.601 4.909 50 30 KJEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955225 553829850 /nfs/dbraw/zinc/82/98/50/553829850.db2.gz RZVIJQUCNHZVMH-IQMFZBJNSA-N 0 0 546.601 4.909 50 30 KJEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955226 553829834 /nfs/dbraw/zinc/82/98/34/553829834.db2.gz RZVIJQUCNHZVMH-CMJOXMDJSA-N 0 0 546.601 4.909 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955614 553831983 /nfs/dbraw/zinc/83/19/83/553831983.db2.gz KBJQNQREFZEEHH-RCDICMHDSA-N 0 0 534.590 4.743 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955615 553832054 /nfs/dbraw/zinc/83/20/54/553832054.db2.gz KBJQNQREFZEEHH-JLCFBVMHSA-N 0 0 534.590 4.743 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955616 553832003 /nfs/dbraw/zinc/83/20/03/553832003.db2.gz KBJQNQREFZEEHH-PEBXRYMYSA-N 0 0 534.590 4.743 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000097955766 553833869 /nfs/dbraw/zinc/83/38/69/553833869.db2.gz UCQAHWKMYBCXTD-NPMXOYFQSA-N 0 0 546.601 4.909 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955767 553834019 /nfs/dbraw/zinc/83/40/19/553834019.db2.gz UCQAHWKMYBCXTD-WNSKOXEYSA-N 0 0 546.601 4.909 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000097955768 553833917 /nfs/dbraw/zinc/83/39/17/553833917.db2.gz UCQAHWKMYBCXTD-CMJOXMDJSA-N 0 0 546.601 4.909 50 30 KJEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955807 553834192 /nfs/dbraw/zinc/83/41/92/553834192.db2.gz WBDPAFJNIWJBSJ-WTYVLRPYSA-N 0 0 543.620 4.839 50 30 KJEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955808 553834292 /nfs/dbraw/zinc/83/42/92/553834292.db2.gz WBDPAFJNIWJBSJ-MMTVBGGISA-N 0 0 543.620 4.839 50 30 KJEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955809 553834162 /nfs/dbraw/zinc/83/41/62/553834162.db2.gz WBDPAFJNIWJBSJ-PIIWDFAUSA-N 0 0 543.620 4.839 50 30 KJEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955810 553834235 /nfs/dbraw/zinc/83/42/35/553834235.db2.gz WBDPAFJNIWJBSJ-NGOKVRLYSA-N 0 0 543.620 4.839 50 30 KJEARN O=C(NCCSc1ccccc1)c1ccc(NN=C2C(=O)Nc3ccc(I)cc32)cc1 ZINC000097955923 553834863 /nfs/dbraw/zinc/83/48/63/553834863.db2.gz VTSDUVJBGAVRBX-UHFFFAOYSA-N 0 0 542.402 4.582 50 30 KJEARN N#Cc1ccccc1N1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)CC1 ZINC000097956370 553838399 /nfs/dbraw/zinc/83/83/99/553838399.db2.gz HNCJTNMMLXCDBZ-ONUIUJJFSA-N 0 0 526.593 4.896 50 30 KJEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)Nc4ccccc4[N+](=O)[O-])nnc3c2CO1 ZINC000097956650 553840445 /nfs/dbraw/zinc/84/04/45/553840445.db2.gz CFLAJXSYVMZARW-UHFFFAOYSA-N 0 0 529.582 4.835 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097956651 553840463 /nfs/dbraw/zinc/84/04/63/553840463.db2.gz NPOIAVSDTSZECJ-HHHXNRCGSA-N 0 0 530.577 4.819 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097956652 553840459 /nfs/dbraw/zinc/84/04/59/553840459.db2.gz NPOIAVSDTSZECJ-MHZLTWQESA-N 0 0 530.577 4.819 50 30 KJEARN COc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccccc5)n23)CC(C)(C)OC4)c(OC)c1 ZINC000097956699 553840778 /nfs/dbraw/zinc/84/07/78/553840778.db2.gz LHSYGLZRPZBHTK-UHFFFAOYSA-N 0 0 544.637 4.944 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956799 553841707 /nfs/dbraw/zinc/84/17/07/553841707.db2.gz DFAFSSLYFMUJOO-HSZRJFAPSA-N 0 0 564.616 4.999 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097956800 553841847 /nfs/dbraw/zinc/84/18/47/553841847.db2.gz DFAFSSLYFMUJOO-QHCPKHFHSA-N 0 0 564.616 4.999 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097956805 553841816 /nfs/dbraw/zinc/84/18/16/553841816.db2.gz VQOWVJWGHHFDQV-JOCHJYFZSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097956806 553841909 /nfs/dbraw/zinc/84/19/09/553841909.db2.gz VQOWVJWGHHFDQV-QFIPXVFZSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000097956828 553842128 /nfs/dbraw/zinc/84/21/28/553842128.db2.gz YLDIZCRLFMYDJB-JOCHJYFZSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000097956829 553842318 /nfs/dbraw/zinc/84/23/18/553842318.db2.gz YLDIZCRLFMYDJB-QFIPXVFZSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956832 553842270 /nfs/dbraw/zinc/84/22/70/553842270.db2.gz SQUKEAYGMRNWAS-HSZRJFAPSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956833 553842326 /nfs/dbraw/zinc/84/23/26/553842326.db2.gz SQUKEAYGMRNWAS-QHCPKHFHSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000097956840 553842710 /nfs/dbraw/zinc/84/27/10/553842710.db2.gz QPSGJMDVOQCRRX-JOCHJYFZSA-N 0 0 534.590 4.903 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000097956841 553842699 /nfs/dbraw/zinc/84/26/99/553842699.db2.gz QPSGJMDVOQCRRX-QFIPXVFZSA-N 0 0 534.590 4.903 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000097956868 553842619 /nfs/dbraw/zinc/84/26/19/553842619.db2.gz KBSGPQBBDKUHJU-JOCHJYFZSA-N 0 0 534.590 4.903 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000097956869 553842912 /nfs/dbraw/zinc/84/29/12/553842912.db2.gz KBSGPQBBDKUHJU-QFIPXVFZSA-N 0 0 534.590 4.903 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000097956883 553842951 /nfs/dbraw/zinc/84/29/51/553842951.db2.gz CCFPIFNTHFQOJF-JOCHJYFZSA-N 0 0 534.590 4.903 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000097956884 553843030 /nfs/dbraw/zinc/84/30/30/553843030.db2.gz CCFPIFNTHFQOJF-QFIPXVFZSA-N 0 0 534.590 4.903 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956887 553842924 /nfs/dbraw/zinc/84/29/24/553842924.db2.gz MAELHERNADQBAS-HSZRJFAPSA-N 0 0 564.616 4.911 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097956888 553843009 /nfs/dbraw/zinc/84/30/09/553843009.db2.gz MAELHERNADQBAS-QHCPKHFHSA-N 0 0 564.616 4.911 50 30 KJEARN CCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)C2=N)S1 ZINC000097957772 553848177 /nfs/dbraw/zinc/84/81/77/553848177.db2.gz IAUQPEOZHUVNSJ-ZGXJZNFGSA-N 0 0 571.400 4.780 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000097957787 553848465 /nfs/dbraw/zinc/84/84/65/553848465.db2.gz QHWUZQLOAYKPEG-KTLMTBOJSA-N 0 0 589.670 4.862 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000097957788 553848468 /nfs/dbraw/zinc/84/84/68/553848468.db2.gz QHWUZQLOAYKPEG-GUNNUQNISA-N 0 0 589.670 4.862 50 30 KJEARN Brc1ccc(OCCOc2ccccc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000097958016 553850381 /nfs/dbraw/zinc/85/03/81/553850381.db2.gz BQNMYAJGDPPBNB-TURZUDJPSA-N 0 0 552.477 4.738 50 30 KJEARN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000097958957 553859332 /nfs/dbraw/zinc/85/93/32/553859332.db2.gz DNOJNHRHUZKCLU-MTDXEUNCSA-N 0 0 585.528 4.962 50 30 KJEARN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c1OCc1ccccc1Cl ZINC000097959083 553860337 /nfs/dbraw/zinc/86/03/37/553860337.db2.gz ABSJBOKTCIGBMD-KVSWJAHQSA-N 0 0 550.816 4.902 50 30 KJEARN CC[C@@H](C)c1ccccc1OCCOc1cccc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1 ZINC000097959093 553860667 /nfs/dbraw/zinc/86/06/67/553860667.db2.gz CFKNDZFAIVERKW-MWLMNVJYSA-N 0 0 560.699 4.567 50 30 KJEARN CC[C@H](C)c1ccccc1OCCOc1cccc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1 ZINC000097959094 553860635 /nfs/dbraw/zinc/86/06/35/553860635.db2.gz CFKNDZFAIVERKW-DQEHSHTFSA-N 0 0 560.699 4.567 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097959615 553864807 /nfs/dbraw/zinc/86/48/07/553864807.db2.gz ZJMYGJQKPOXEDE-CYNGKWMKSA-N 0 0 546.601 4.994 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097959616 553864848 /nfs/dbraw/zinc/86/48/48/553864848.db2.gz ZJMYGJQKPOXEDE-CWSBKQHBSA-N 0 0 546.601 4.994 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000097959653 553865186 /nfs/dbraw/zinc/86/51/86/553865186.db2.gz HSVFXKYWKGIKLZ-WNFIAYLZSA-N 0 0 561.616 4.761 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000097959654 553865179 /nfs/dbraw/zinc/86/51/79/553865179.db2.gz HSVFXKYWKGIKLZ-AZTNMLBSSA-N 0 0 561.616 4.761 50 30 KJEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc(I)c1OCC(N)=O ZINC000097959662 553865142 /nfs/dbraw/zinc/86/51/42/553865142.db2.gz UGHMEKXKPWROCR-LNRHWRBOSA-N 0 0 579.460 4.814 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000097959692 553865493 /nfs/dbraw/zinc/86/54/93/553865493.db2.gz GEDVYBBFCHFBEY-QNRSTHINSA-N 0 0 577.634 4.992 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000097959693 553865496 /nfs/dbraw/zinc/86/54/96/553865496.db2.gz GEDVYBBFCHFBEY-YYCIKHPBSA-N 0 0 577.634 4.992 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000097959720 553865911 /nfs/dbraw/zinc/86/59/11/553865911.db2.gz QHRGBJGWHGEPRY-XMWFGAJLSA-N 0 0 535.597 4.824 50 30 KJEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000097959721 553865886 /nfs/dbraw/zinc/86/58/86/553865886.db2.gz QHRGBJGWHGEPRY-UCSRTCPSSA-N 0 0 535.597 4.824 50 30 KJEARN C=CCOc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000097959819 553866378 /nfs/dbraw/zinc/86/63/78/553866378.db2.gz WXRRTGRPAKMFSE-YVLHZVERSA-N 0 0 569.193 4.720 50 30 KJEARN CCOC(=O)COc1c(I)cc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000097959859 553866816 /nfs/dbraw/zinc/86/68/16/553866816.db2.gz FRUWFGQAGQSXSH-UHFFFAOYSA-N 0 0 600.247 4.697 50 30 KJEARN C=CCOc1c(I)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1I ZINC000097959999 553867657 /nfs/dbraw/zinc/86/76/57/553867657.db2.gz DQEGOIZRBIZXJC-SFHVURJKSA-N 0 0 615.209 4.727 50 30 KJEARN C=CCOc1c(I)cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1I ZINC000097960000 553867528 /nfs/dbraw/zinc/86/75/28/553867528.db2.gz DQEGOIZRBIZXJC-GOSISDBHSA-N 0 0 615.209 4.727 50 30 KJEARN C=CCOc1c(I)cc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1I ZINC000097960001 553867651 /nfs/dbraw/zinc/86/76/51/553867651.db2.gz LPWMKVUOASAWTA-SFHVURJKSA-N 0 0 600.194 4.971 50 30 KJEARN C=CCOc1c(I)cc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1I ZINC000097960002 553867536 /nfs/dbraw/zinc/86/75/36/553867536.db2.gz LPWMKVUOASAWTA-GOSISDBHSA-N 0 0 600.194 4.971 50 30 KJEARN CCOC(=O)COc1c(I)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000097960098 553868251 /nfs/dbraw/zinc/86/82/51/553868251.db2.gz CDCXGLGSNPXMEK-SXGWCWSVSA-N 0 0 652.223 4.868 50 30 KJEARN COc1ccc(/N=C2\S/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000097960104 553868310 /nfs/dbraw/zinc/86/83/10/553868310.db2.gz BMHCTRKOLWHFJX-SHKHLXLWSA-N 0 0 526.618 4.887 50 30 KJEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)S2)cc1 ZINC000097960119 553868232 /nfs/dbraw/zinc/86/82/32/553868232.db2.gz MMAKIWMEJUOKOS-JYRVWZFOSA-N 0 0 514.195 4.826 50 30 KJEARN O=C(Cn1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21)N1CCOCC1 ZINC000097960164 553868550 /nfs/dbraw/zinc/86/85/50/553868550.db2.gz MJEUQPXXEKQEFI-ACQOKJFWSA-N 0 0 526.618 4.897 50 30 KJEARN COc1cc(N2CCCC2)c(OC)cc1/C=C1\S/C(=N\c2ccccc2)N(CCCN2CCOCC2)C1=O ZINC000097960193 553868897 /nfs/dbraw/zinc/86/88/97/553868897.db2.gz XXSRUQSJYMATOX-FFKKSUQSSA-N 0 0 536.698 4.630 50 30 KJEARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000097960200 553868926 /nfs/dbraw/zinc/86/89/26/553868926.db2.gz QLRWJCXMONOAKK-AWQFTUOYSA-N 0 0 531.384 4.508 50 30 KJEARN C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(CCOC)C2=O)cc1OCC ZINC000097960407 553871318 /nfs/dbraw/zinc/87/13/18/553871318.db2.gz MFRGEOYMMVZTHF-UDYMOMHISA-N 0 0 562.429 4.952 50 30 KJEARN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OCC)c(OCC(=O)OC)cc3Br)S2)cc1 ZINC000097960439 553871669 /nfs/dbraw/zinc/87/16/69/553871669.db2.gz SHXAQHCXMMRGDB-RGVLZGJSSA-N 0 0 535.416 4.690 50 30 KJEARN COc1cc(NC(=NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)Nc2nc(C)cc(C)n2)c(OC)cc1Cl ZINC000097960486 553871895 /nfs/dbraw/zinc/87/18/95/553871895.db2.gz DIHJYESACICXAY-HWBMXIPRSA-N 0 0 619.122 4.957 50 30 KJEARN COC(=O)c1ccc(NC(=O)/C=C2\S/C(=N\Cc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000097960586 553872643 /nfs/dbraw/zinc/87/26/43/553872643.db2.gz ZGPLFTVIEISHJU-XRRXZQNGSA-N 0 0 521.545 4.906 50 30 KJEARN COc1ccc([C@@H]2N(/C(CN3CCCCC3)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097961124 553875358 /nfs/dbraw/zinc/87/53/58/553875358.db2.gz CXZBBNMIQKMSKF-XBVONDGYSA-N 0 0 610.802 4.590 50 30 KJEARN COc1ccc([C@H]2N(/C(CN3CCCCC3)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097961125 553875356 /nfs/dbraw/zinc/87/53/56/553875356.db2.gz CXZBBNMIQKMSKF-LWSPANAXSA-N 0 0 610.802 4.590 50 30 KJEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(CCC#N)CCC#N)cc4)cccc23)cc1 ZINC000097961227 553876353 /nfs/dbraw/zinc/87/63/53/553876353.db2.gz MTQRTZCTRNSURA-UHFFFAOYSA-N 0 0 736.836 4.981 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)[C@H](c3ccccc3)S/C2=N\S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000097961830 553880849 /nfs/dbraw/zinc/88/08/49/553880849.db2.gz RRDFZHTUKCPBJR-WOLPYFHWSA-N 0 0 524.620 4.828 50 30 KJEARN CCOC(=O)c1ccc(N2C(=O)[C@@H](c3ccccc3)S/C2=N\S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000097961831 553880810 /nfs/dbraw/zinc/88/08/10/553880810.db2.gz RRDFZHTUKCPBJR-SKWYYERQSA-N 0 0 524.620 4.828 50 30 KJEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)COc2cccc3cccnc32)n1 ZINC000097962005 553882323 /nfs/dbraw/zinc/88/23/23/553882323.db2.gz QYIHTNAEBSBCSR-UHFFFAOYSA-N 0 0 528.016 4.982 50 30 KJEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000097962040 553882523 /nfs/dbraw/zinc/88/25/23/553882523.db2.gz ADSYHGMZISEKNB-HNNDCAHOSA-N 0 0 599.644 4.877 50 30 KJEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000097962042 553882543 /nfs/dbraw/zinc/88/25/43/553882543.db2.gz ADSYHGMZISEKNB-ABFODGPCSA-N 0 0 599.644 4.877 50 30 KJEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000097962069 553882868 /nfs/dbraw/zinc/88/28/68/553882868.db2.gz ZKCGNGYFUOWUFF-KWJFVLQOSA-N 0 0 569.574 4.701 50 30 KJEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000097962071 553882849 /nfs/dbraw/zinc/88/28/49/553882849.db2.gz ZKCGNGYFUOWUFF-XEXDPSGUSA-N 0 0 569.574 4.701 50 30 KJEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N/N=C1/CCCc3c(C(=O)OCC)c(NC(C)=O)sc31)CCC2 ZINC000097962089 553883086 /nfs/dbraw/zinc/88/30/86/553883086.db2.gz FZVUXOIQTUNPQH-QCOHSWCKSA-N 0 0 558.682 4.946 50 30 KJEARN COc1cccc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000097962808 553885738 /nfs/dbraw/zinc/88/57/38/553885738.db2.gz MINMLRBHTLNILP-XHJVDNTNSA-N 0 0 558.660 4.783 50 30 KJEARN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000097962943 553886103 /nfs/dbraw/zinc/88/61/03/553886103.db2.gz DQLHFSLSVJNVAC-WGOQTCKBSA-N 0 0 559.463 4.991 50 30 KJEARN C=CCNC(=O)/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000097963041 553886278 /nfs/dbraw/zinc/88/62/78/553886278.db2.gz LAPXQSPHNVTJIU-USHMODERSA-N 0 0 548.661 4.871 50 30 KJEARN CCCCN1c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)c3cccc(c23)C1=O ZINC000097963373 553889336 /nfs/dbraw/zinc/88/93/36/553889336.db2.gz LLBFBRLHPVXLBB-UHFFFAOYSA-N 0 0 529.622 4.670 50 30 KJEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)sc2C1 ZINC000097963559 553891774 /nfs/dbraw/zinc/89/17/74/553891774.db2.gz QMUGJZSKPDUOOT-UHFFFAOYSA-N 0 0 546.715 4.689 50 30 KJEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 ZINC000097963830 553894556 /nfs/dbraw/zinc/89/45/56/553894556.db2.gz UHTJHIIAKISYTG-UHFFFAOYSA-N 0 0 556.641 4.548 50 30 KJEARN CNc1nc(N=NCc2cc(I)cc(I)c2OCc2ccccc2)ncc1F ZINC000097964081 553896264 /nfs/dbraw/zinc/89/62/64/553896264.db2.gz XKMBDEFGMZOZEB-YCPBAFNGSA-N 0 0 603.177 4.892 50 30 KJEARN COc1cccc(NC(=O)CC2S/C(=N\S(=O)(=O)c3ccc(Cl)s3)N(c3ccccc3)C2=O)c1 ZINC000097964261 553896904 /nfs/dbraw/zinc/89/69/04/553896904.db2.gz WNFDAAZHHXFRNR-JUZPYSENSA-N 0 0 536.056 4.632 50 30 KJEARN COc1cccc(NC(=O)CC2S/C(=N\S(=O)(=O)c3ccc(Cl)s3)N(c3ccccc3)C2=O)c1 ZINC000097964262 553896919 /nfs/dbraw/zinc/89/69/19/553896919.db2.gz WNFDAAZHHXFRNR-QEQSUZCXSA-N 0 0 536.056 4.632 50 30 KJEARN CCOc1cc(C(=O)/N=c2\c(C#N)cc3c(nc4c(C)cccn4c3=O)n2CCCOC(C)C)cc(OCC)c1OCC ZINC000097965080 553902481 /nfs/dbraw/zinc/90/24/81/553902481.db2.gz DRQRDZZJUNSUPW-OZMGXUMRSA-N 0 0 587.677 4.582 50 30 KJEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/CC(O)C/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097965292 553904125 /nfs/dbraw/zinc/90/41/25/553904125.db2.gz DPJMCEGTZOMLLR-CRDPYYQKSA-N 0 0 604.754 4.804 50 30 KJEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)c1C#N ZINC000097965515 553905040 /nfs/dbraw/zinc/90/50/40/553905040.db2.gz HENSYCXWLLJSOS-VFLNYLIXSA-N 0 0 567.387 4.918 50 30 KJEARN C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000097965678 553905853 /nfs/dbraw/zinc/90/58/53/553905853.db2.gz XIKQRXAHMDXFOT-LGUSAWBASA-N 0 0 519.826 4.814 50 30 KJEARN O=[N+]([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccc(F)cc4)nc(N4CCOCC4)n3)o2)ccc1Cl ZINC000097966084 553907074 /nfs/dbraw/zinc/90/70/74/553907074.db2.gz KIGNSENUUAZZNJ-VYYCAZPPSA-N 0 0 538.927 4.859 50 30 KJEARN Cc1ccc(Nc2nc(N=NCc3cccc(I)c3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000097966085 553906991 /nfs/dbraw/zinc/90/69/91/553906991.db2.gz PLFNZBBKSNHWLD-CFRMEGHHSA-N 0 0 594.255 4.573 50 30 KJEARN COc1ccc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(I)cc2)cc1Br ZINC000097966088 553907037 /nfs/dbraw/zinc/90/70/37/553907037.db2.gz VWDHPTDFMCDSSW-ZVBGSRNCSA-N 0 0 566.157 4.578 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000097966487 553909030 /nfs/dbraw/zinc/90/90/30/553909030.db2.gz NPNNXNYKROOAPS-IUKMQXEJSA-N 0 0 564.107 4.749 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000097966488 553909269 /nfs/dbraw/zinc/90/92/69/553909269.db2.gz NPNNXNYKROOAPS-NPJIAGGLSA-N 0 0 564.107 4.749 50 30 KJEARN COc1cc(C=c2sc(=C(C#N)C(=O)Nc3cccc(Cl)c3)n(-c3ccccc3)c2=O)cc(Br)c1O ZINC000097966680 553909642 /nfs/dbraw/zinc/90/96/42/553909642.db2.gz ILZDOHWYENDKFD-YZFIOTTDSA-N 0 0 582.863 4.820 50 30 KJEARN CCOc1c(Cl)cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3OC)n(-c3ccccc3)c2=O)cc1OC ZINC000097966697 553909615 /nfs/dbraw/zinc/90/96/15/553909615.db2.gz ZTMLJLZEGQMGBR-HAEPWWAHSA-N 0 0 562.047 4.760 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000097966745 553909967 /nfs/dbraw/zinc/90/99/67/553909967.db2.gz LVWTYMLEACXRQS-SMSORMJASA-N 0 0 578.706 4.744 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000097966746 553909948 /nfs/dbraw/zinc/90/99/48/553909948.db2.gz LVWTYMLEACXRQS-CHJDUVSTSA-N 0 0 578.706 4.744 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000097966747 553909896 /nfs/dbraw/zinc/90/98/96/553909896.db2.gz LVWTYMLEACXRQS-YKGWIAGDSA-N 0 0 578.706 4.744 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000097966748 553909986 /nfs/dbraw/zinc/90/99/86/553909986.db2.gz LVWTYMLEACXRQS-RCRUUEGKSA-N 0 0 578.706 4.744 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097966760 553909876 /nfs/dbraw/zinc/90/98/76/553909876.db2.gz OWMZGNAMDYIOOR-GDLZYMKVSA-N 0 0 566.695 4.738 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097966761 553910029 /nfs/dbraw/zinc/91/00/29/553910029.db2.gz OWMZGNAMDYIOOR-LJAQVGFWSA-N 0 0 566.695 4.738 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000097966765 553909960 /nfs/dbraw/zinc/90/99/60/553909960.db2.gz CXZHYALNXRKBGF-WJOKGBTCSA-N 0 0 586.685 4.892 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000097966766 553909849 /nfs/dbraw/zinc/90/98/49/553909849.db2.gz CXZHYALNXRKBGF-HKBQPEDESA-N 0 0 586.685 4.892 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097966806 553910444 /nfs/dbraw/zinc/91/04/44/553910444.db2.gz XWKGXUGIXHGODR-HKBQPEDESA-N 0 0 616.711 4.900 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097966807 553910378 /nfs/dbraw/zinc/91/03/78/553910378.db2.gz XWKGXUGIXHGODR-WJOKGBTCSA-N 0 0 616.711 4.900 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097966826 553910795 /nfs/dbraw/zinc/91/07/95/553910795.db2.gz JAOALEOMKINJDA-PMERELPUSA-N 0 0 572.658 4.589 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097966827 553910656 /nfs/dbraw/zinc/91/06/56/553910656.db2.gz JAOALEOMKINJDA-SSEXGKCCSA-N 0 0 572.658 4.589 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000097966857 553911049 /nfs/dbraw/zinc/91/10/49/553911049.db2.gz LOAZOXVSVXGYJE-LJAQVGFWSA-N 0 0 542.632 4.580 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000097966858 553911206 /nfs/dbraw/zinc/91/12/06/553911206.db2.gz LOAZOXVSVXGYJE-GDLZYMKVSA-N 0 0 542.632 4.580 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000097966888 553911445 /nfs/dbraw/zinc/91/14/45/553911445.db2.gz ULIWBUBEJQVCLU-LJAQVGFWSA-N 0 0 566.695 4.882 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000097966889 553911604 /nfs/dbraw/zinc/91/16/04/553911604.db2.gz ULIWBUBEJQVCLU-GDLZYMKVSA-N 0 0 566.695 4.882 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000097966895 553911486 /nfs/dbraw/zinc/91/14/86/553911486.db2.gz WNUVIIXOTMTQII-PMERELPUSA-N 0 0 572.658 4.502 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000097966896 553911609 /nfs/dbraw/zinc/91/16/09/553911609.db2.gz WNUVIIXOTMTQII-SSEXGKCCSA-N 0 0 572.658 4.502 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097966909 553911970 /nfs/dbraw/zinc/91/19/70/553911970.db2.gz YNGCRCXHYDBJOI-SANMLTNESA-N 0 0 532.593 4.982 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097966910 553911983 /nfs/dbraw/zinc/91/19/83/553911983.db2.gz YNGCRCXHYDBJOI-AREMUKBSSA-N 0 0 532.593 4.982 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097966954 553912316 /nfs/dbraw/zinc/91/23/16/553912316.db2.gz ZADPLSUQAOVQJG-HSZRJFAPSA-N 0 0 564.616 4.999 50 30 KJEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097966955 553912366 /nfs/dbraw/zinc/91/23/66/553912366.db2.gz ZADPLSUQAOVQJG-QHCPKHFHSA-N 0 0 564.616 4.999 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097966966 553912223 /nfs/dbraw/zinc/91/22/23/553912223.db2.gz BFBMYSOZUZPVSR-NDEPHWFRSA-N 0 0 582.694 4.500 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097966967 553912388 /nfs/dbraw/zinc/91/23/88/553912388.db2.gz BFBMYSOZUZPVSR-MUUNZHRXSA-N 0 0 582.694 4.500 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(Br)cc3)oc21 ZINC000097966977 553912704 /nfs/dbraw/zinc/91/27/04/553912704.db2.gz ZHIOHDBKXMCLGQ-QHCPKHFHSA-N 0 0 555.425 4.505 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000097966978 553912756 /nfs/dbraw/zinc/91/27/56/553912756.db2.gz ZHIOHDBKXMCLGQ-HSZRJFAPSA-N 0 0 555.425 4.505 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000097967004 553912659 /nfs/dbraw/zinc/91/26/59/553912659.db2.gz LXNXRHAKRBHGMP-SSEXGKCCSA-N 0 0 572.658 4.589 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000097967005 553912698 /nfs/dbraw/zinc/91/26/98/553912698.db2.gz LXNXRHAKRBHGMP-PMERELPUSA-N 0 0 572.658 4.589 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097967051 553913378 /nfs/dbraw/zinc/91/33/78/553913378.db2.gz NSOKKFLUEXHXBM-HKBQPEDESA-N 0 0 586.685 4.979 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097967059 553913569 /nfs/dbraw/zinc/91/35/69/553913569.db2.gz DZIGPYMWVWAJFD-WJOKGBTCSA-N 0 0 586.685 4.979 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097967060 553913455 /nfs/dbraw/zinc/91/34/55/553913455.db2.gz DZIGPYMWVWAJFD-HKBQPEDESA-N 0 0 586.685 4.979 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967074 553913578 /nfs/dbraw/zinc/91/35/78/553913578.db2.gz RLUKCMGXYZCWRI-SMSORMJASA-N 0 0 578.706 4.888 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967075 553913545 /nfs/dbraw/zinc/91/35/45/553913545.db2.gz RLUKCMGXYZCWRI-CHJDUVSTSA-N 0 0 578.706 4.888 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967076 553913533 /nfs/dbraw/zinc/91/35/33/553913533.db2.gz RLUKCMGXYZCWRI-YKGWIAGDSA-N 0 0 578.706 4.888 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967077 553913437 /nfs/dbraw/zinc/91/34/37/553913437.db2.gz RLUKCMGXYZCWRI-RCRUUEGKSA-N 0 0 578.706 4.888 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000097967177 553914774 /nfs/dbraw/zinc/91/47/74/553914774.db2.gz LRPOVGDWHIMCNX-MHZLTWQESA-N 0 0 532.662 4.936 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000097967178 553914743 /nfs/dbraw/zinc/91/47/43/553914743.db2.gz LRPOVGDWHIMCNX-HHHXNRCGSA-N 0 0 532.662 4.936 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000097967189 553914815 /nfs/dbraw/zinc/91/48/15/553914815.db2.gz JDOWTDGMRDWISN-LJAQVGFWSA-N 0 0 542.632 4.580 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000097967190 553914822 /nfs/dbraw/zinc/91/48/22/553914822.db2.gz JDOWTDGMRDWISN-GDLZYMKVSA-N 0 0 542.632 4.580 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097967296 553916276 /nfs/dbraw/zinc/91/62/76/553916276.db2.gz LORXUGBBSXKGGX-RUZDIDTESA-N 0 0 560.584 4.876 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097967297 553916378 /nfs/dbraw/zinc/91/63/78/553916378.db2.gz LORXUGBBSXKGGX-VWLOTQADSA-N 0 0 560.584 4.876 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000097967311 553916846 /nfs/dbraw/zinc/91/68/46/553916846.db2.gz AECARKVHMZLRPX-PSLXWICFSA-N 0 0 551.393 4.660 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000097967312 553916656 /nfs/dbraw/zinc/91/66/56/553916656.db2.gz AECARKVHMZLRPX-QKFKETGDSA-N 0 0 551.393 4.660 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000097967313 553916726 /nfs/dbraw/zinc/91/67/26/553916726.db2.gz AECARKVHMZLRPX-LFVRLGFBSA-N 0 0 551.393 4.660 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097967397 553918052 /nfs/dbraw/zinc/91/80/52/553918052.db2.gz DHJNMJARQDUPSO-PMERELPUSA-N 0 0 556.659 4.883 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097967398 553918127 /nfs/dbraw/zinc/91/81/27/553918127.db2.gz DHJNMJARQDUPSO-SSEXGKCCSA-N 0 0 556.659 4.883 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967409 553918057 /nfs/dbraw/zinc/91/80/57/553918057.db2.gz XPNNJSCLPNLBQV-SSEXGKCCSA-N 0 0 594.705 4.726 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967410 553918097 /nfs/dbraw/zinc/91/80/97/553918097.db2.gz XPNNJSCLPNLBQV-PMERELPUSA-N 0 0 594.705 4.726 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097967574 553920180 /nfs/dbraw/zinc/92/01/80/553920180.db2.gz FSTISSKBGDQICF-MUUNZHRXSA-N 0 0 561.635 4.901 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097967575 553920266 /nfs/dbraw/zinc/92/02/66/553920266.db2.gz FSTISSKBGDQICF-NDEPHWFRSA-N 0 0 561.635 4.901 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097967800 553923576 /nfs/dbraw/zinc/92/35/76/553923576.db2.gz YMPFCKVJFMDXKI-MUUNZHRXSA-N 0 0 561.635 4.901 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097967801 553923597 /nfs/dbraw/zinc/92/35/97/553923597.db2.gz YMPFCKVJFMDXKI-NDEPHWFRSA-N 0 0 561.635 4.901 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967855 553924107 /nfs/dbraw/zinc/92/41/07/553924107.db2.gz KLVDGWISYGXBNN-GDLZYMKVSA-N 0 0 551.599 4.902 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967856 553923906 /nfs/dbraw/zinc/92/39/06/553923906.db2.gz KLVDGWISYGXBNN-LJAQVGFWSA-N 0 0 551.599 4.902 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000097968184 553928729 /nfs/dbraw/zinc/92/87/29/553928729.db2.gz NUZKTGYZOWHRPP-FATZIPQQSA-N 0 0 551.393 4.660 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000097968185 553928792 /nfs/dbraw/zinc/92/87/92/553928792.db2.gz NUZKTGYZOWHRPP-PSLXWICFSA-N 0 0 551.393 4.660 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000097968186 553928716 /nfs/dbraw/zinc/92/87/16/553928716.db2.gz NUZKTGYZOWHRPP-QKFKETGDSA-N 0 0 551.393 4.660 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000097968187 553928852 /nfs/dbraw/zinc/92/88/52/553928852.db2.gz NUZKTGYZOWHRPP-LFVRLGFBSA-N 0 0 551.393 4.660 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097968430 553932406 /nfs/dbraw/zinc/93/24/06/553932406.db2.gz DGLWMKHMDOLVKN-RUZDIDTESA-N 0 0 560.584 4.963 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097968431 553932363 /nfs/dbraw/zinc/93/23/63/553932363.db2.gz DGLWMKHMDOLVKN-VWLOTQADSA-N 0 0 560.584 4.963 50 30 KJEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000097968497 553932858 /nfs/dbraw/zinc/93/28/58/553932858.db2.gz OKGGDHMVUOIZEP-LJJBLSSYSA-N 0 0 742.373 4.581 50 30 KJEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000097968498 553932869 /nfs/dbraw/zinc/93/28/69/553932869.db2.gz OKGGDHMVUOIZEP-CVGPFBNFSA-N 0 0 742.373 4.581 50 30 KJEARN COc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OC)c(CN4CCOCC4)c3)C2=O)cc1CN1CCOCC1 ZINC000097968543 553933226 /nfs/dbraw/zinc/93/32/26/553933226.db2.gz YLYLEEIAFALBAA-UKOHILRMSA-N 0 0 546.708 4.834 50 30 KJEARN COc1cc(OC)c(OC)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(C)cc2)n(-c2ccc(C)c(C)c2)c1=O ZINC000097968741 553934037 /nfs/dbraw/zinc/93/40/37/553934037.db2.gz GXUXQXJLEOYJCK-CDBFQGHUSA-N 0 0 555.656 4.641 50 30 KJEARN CCOc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(F)cc2)n(-c2ccccc2)c1=O ZINC000097968745 553934019 /nfs/dbraw/zinc/93/40/19/553934019.db2.gz UYAPTQOBYRTOAY-IMICAWDVSA-N 0 0 519.985 4.881 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097968918 553934917 /nfs/dbraw/zinc/93/49/17/553934917.db2.gz ZYURILSXRPUYPB-HAIIOQGTSA-N 0 0 589.626 4.539 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097968919 553935204 /nfs/dbraw/zinc/93/52/04/553935204.db2.gz ZYURILSXRPUYPB-XIEXQXBSSA-N 0 0 589.626 4.539 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969001 553935543 /nfs/dbraw/zinc/93/55/43/553935543.db2.gz HNHRKSWDPYYARV-JPQMRUPTSA-N 0 0 598.696 4.898 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969002 553935467 /nfs/dbraw/zinc/93/54/67/553935467.db2.gz HNHRKSWDPYYARV-UDNBHOFDSA-N 0 0 598.696 4.898 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969003 553935432 /nfs/dbraw/zinc/93/54/32/553935432.db2.gz HNHRKSWDPYYARV-JIYROHSKSA-N 0 0 598.696 4.898 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969004 553935423 /nfs/dbraw/zinc/93/54/23/553935423.db2.gz HNHRKSWDPYYARV-HEIROHQZSA-N 0 0 598.696 4.898 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000097969019 553935835 /nfs/dbraw/zinc/93/58/35/553935835.db2.gz JVXNINNXERRGRY-DEOSSOPVSA-N 0 0 556.015 4.630 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000097969020 553935916 /nfs/dbraw/zinc/93/59/16/553935916.db2.gz JVXNINNXERRGRY-XMMPIXPASA-N 0 0 556.015 4.630 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097969036 553935880 /nfs/dbraw/zinc/93/58/80/553935880.db2.gz FEKNOIRNALJZDO-LJAQVGFWSA-N 0 0 571.630 4.783 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097969037 553935896 /nfs/dbraw/zinc/93/58/96/553935896.db2.gz FEKNOIRNALJZDO-GDLZYMKVSA-N 0 0 571.630 4.783 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097969114 553936535 /nfs/dbraw/zinc/93/65/35/553936535.db2.gz NIZDJZQIGJOQCA-PMERELPUSA-N 0 0 572.658 4.589 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097969115 553936547 /nfs/dbraw/zinc/93/65/47/553936547.db2.gz NIZDJZQIGJOQCA-SSEXGKCCSA-N 0 0 572.658 4.589 50 30 KJEARN C[C@H]1CN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(Cl)cc4Cl)n3)c2)C[C@H](C)O1 ZINC000097969182 553937486 /nfs/dbraw/zinc/93/74/86/553937486.db2.gz QMKFEVHPMXWHBC-KNTAFLKBSA-N 0 0 525.483 5.361 50 30 KJEARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(Cl)cc4Cl)n3)c2)C[C@@H](C)O1 ZINC000097969183 553937489 /nfs/dbraw/zinc/93/74/89/553937489.db2.gz QMKFEVHPMXWHBC-GIKCJAQHSA-N 0 0 525.483 5.361 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097969312 553939619 /nfs/dbraw/zinc/93/96/19/553939619.db2.gz HHGWHZMKKFNYSY-SSEXGKCCSA-N 0 0 581.625 4.911 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097969313 553939586 /nfs/dbraw/zinc/93/95/86/553939586.db2.gz HHGWHZMKKFNYSY-PMERELPUSA-N 0 0 581.625 4.911 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097969325 553939720 /nfs/dbraw/zinc/93/97/20/553939720.db2.gz JFQYOFQXNAYQGF-GDLZYMKVSA-N 0 0 566.695 4.738 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097969326 553939610 /nfs/dbraw/zinc/93/96/10/553939610.db2.gz JFQYOFQXNAYQGF-LJAQVGFWSA-N 0 0 566.695 4.738 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969347 553940173 /nfs/dbraw/zinc/94/01/73/553940173.db2.gz WZJYXBDMGMHXEH-JGCGQSQUSA-N 0 0 614.695 4.736 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969348 553940093 /nfs/dbraw/zinc/94/00/93/553940093.db2.gz WZJYXBDMGMHXEH-YTTGMZPUSA-N 0 0 614.695 4.736 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000097969376 553940384 /nfs/dbraw/zinc/94/03/84/553940384.db2.gz LPYICWQKOWAYHP-GDLZYMKVSA-N 0 0 551.599 4.902 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000097969377 553940465 /nfs/dbraw/zinc/94/04/65/553940465.db2.gz LPYICWQKOWAYHP-LJAQVGFWSA-N 0 0 551.599 4.902 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097969405 553940434 /nfs/dbraw/zinc/94/04/34/553940434.db2.gz MWMLPIGRZZLLSB-PMERELPUSA-N 0 0 572.658 4.589 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000097969406 553940829 /nfs/dbraw/zinc/94/08/29/553940829.db2.gz MWMLPIGRZZLLSB-SSEXGKCCSA-N 0 0 572.658 4.589 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097969412 553940835 /nfs/dbraw/zinc/94/08/35/553940835.db2.gz UOIZYWRRBFVHFY-SMSORMJASA-N 0 0 578.706 4.888 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097969413 553940887 /nfs/dbraw/zinc/94/08/87/553940887.db2.gz UOIZYWRRBFVHFY-CHJDUVSTSA-N 0 0 578.706 4.888 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097969414 553940812 /nfs/dbraw/zinc/94/08/12/553940812.db2.gz UOIZYWRRBFVHFY-YKGWIAGDSA-N 0 0 578.706 4.888 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097969415 553940819 /nfs/dbraw/zinc/94/08/19/553940819.db2.gz UOIZYWRRBFVHFY-RCRUUEGKSA-N 0 0 578.706 4.888 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097969438 553941064 /nfs/dbraw/zinc/94/10/64/553941064.db2.gz DPZDDIFSBPTXNE-NDEPHWFRSA-N 0 0 582.694 4.500 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097969439 553941046 /nfs/dbraw/zinc/94/10/46/553941046.db2.gz DPZDDIFSBPTXNE-MUUNZHRXSA-N 0 0 582.694 4.500 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 ZINC000097969449 553941136 /nfs/dbraw/zinc/94/11/36/553941136.db2.gz VAJPDLAJGYMECI-MHZLTWQESA-N 0 0 532.662 4.936 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 ZINC000097969450 553941127 /nfs/dbraw/zinc/94/11/27/553941127.db2.gz VAJPDLAJGYMECI-HHHXNRCGSA-N 0 0 532.662 4.936 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097969467 553941028 /nfs/dbraw/zinc/94/10/28/553941028.db2.gz HNUBAYGRRRDLQW-HKBQPEDESA-N 0 0 586.685 4.892 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097969468 553941015 /nfs/dbraw/zinc/94/10/15/553941015.db2.gz HNUBAYGRRRDLQW-WJOKGBTCSA-N 0 0 586.685 4.892 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097969473 553941056 /nfs/dbraw/zinc/94/10/56/553941056.db2.gz AJORARBYINAWAV-HKBQPEDESA-N 0 0 616.711 4.900 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969546 553942338 /nfs/dbraw/zinc/94/23/38/553942338.db2.gz QKHHBCMVOLPGLI-LJAQVGFWSA-N 0 0 571.630 4.783 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969547 553942267 /nfs/dbraw/zinc/94/22/67/553942267.db2.gz QKHHBCMVOLPGLI-GDLZYMKVSA-N 0 0 571.630 4.783 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969558 553942206 /nfs/dbraw/zinc/94/22/06/553942206.db2.gz QABALPZQBZDLDP-IPBJYNAHSA-N 0 0 568.670 4.890 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969559 553942270 /nfs/dbraw/zinc/94/22/70/553942270.db2.gz QABALPZQBZDLDP-FWUCURJTSA-N 0 0 568.670 4.890 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969560 553942259 /nfs/dbraw/zinc/94/22/59/553942259.db2.gz QABALPZQBZDLDP-SLGOVJDISA-N 0 0 568.670 4.890 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969561 553942284 /nfs/dbraw/zinc/94/22/84/553942284.db2.gz QABALPZQBZDLDP-GTYOFVGBSA-N 0 0 568.670 4.890 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000097969680 553943801 /nfs/dbraw/zinc/94/38/01/553943801.db2.gz NXFWWTIOYAROJT-QHCPKHFHSA-N 0 0 522.399 4.879 50 30 KJEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000097969681 553943792 /nfs/dbraw/zinc/94/37/92/553943792.db2.gz NXFWWTIOYAROJT-HSZRJFAPSA-N 0 0 522.399 4.879 50 30 KJEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097969997 553948244 /nfs/dbraw/zinc/94/82/44/553948244.db2.gz WIVFIWYEQNUYKS-PMERELPUSA-N 0 0 556.659 4.883 50 30 KJEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097969998 553948080 /nfs/dbraw/zinc/94/80/80/553948080.db2.gz WIVFIWYEQNUYKS-SSEXGKCCSA-N 0 0 556.659 4.883 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097970281 553952087 /nfs/dbraw/zinc/95/20/87/553952087.db2.gz OUJHDFFYFMVDHF-PMERELPUSA-N 0 0 555.675 4.551 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097970282 553952076 /nfs/dbraw/zinc/95/20/76/553952076.db2.gz OUJHDFFYFMVDHF-SSEXGKCCSA-N 0 0 555.675 4.551 50 30 KJEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(F)cc2)n(-c2ccccc2)c1=O ZINC000097970285 553952073 /nfs/dbraw/zinc/95/20/73/553952073.db2.gz HHGOGJWWYIBBNO-TUECKBEMSA-N 0 0 564.436 4.991 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000097970619 553956663 /nfs/dbraw/zinc/95/66/63/553956663.db2.gz FOSOBZUCMZCNIX-SSEXGKCCSA-N 0 0 594.705 4.582 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000097970620 553956842 /nfs/dbraw/zinc/95/68/42/553956842.db2.gz FOSOBZUCMZCNIX-PMERELPUSA-N 0 0 594.705 4.582 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097970640 553956653 /nfs/dbraw/zinc/95/66/53/553956653.db2.gz KPNOPXQFZUUSJP-MUUNZHRXSA-N 0 0 561.635 4.756 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097970641 553956863 /nfs/dbraw/zinc/95/68/63/553956863.db2.gz KPNOPXQFZUUSJP-NDEPHWFRSA-N 0 0 561.635 4.756 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000097970947 553959559 /nfs/dbraw/zinc/95/95/59/553959559.db2.gz YCXIOLDGODXGQU-LJAQVGFWSA-N 0 0 571.630 4.783 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000097970948 553959931 /nfs/dbraw/zinc/95/99/31/553959931.db2.gz YCXIOLDGODXGQU-GDLZYMKVSA-N 0 0 571.630 4.783 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(Br)c3)oc21 ZINC000097971034 553960656 /nfs/dbraw/zinc/96/06/56/553960656.db2.gz IQLXQAXOARTDBC-QHCPKHFHSA-N 0 0 555.425 4.505 50 30 KJEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(Br)c3)oc21 ZINC000097971035 553960605 /nfs/dbraw/zinc/96/06/05/553960605.db2.gz IQLXQAXOARTDBC-HSZRJFAPSA-N 0 0 555.425 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O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097978980 553975423 /nfs/dbraw/zinc/97/54/23/553975423.db2.gz CIARUGKPMLYABN-UHFFFAOYSA-N 0 0 532.833 4.693 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000097978999 553975419 /nfs/dbraw/zinc/97/54/19/553975419.db2.gz QUCNJSMNIGECMK-GOSISDBHSA-N 0 0 599.804 4.750 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000097979000 553975570 /nfs/dbraw/zinc/97/55/70/553975570.db2.gz QUCNJSMNIGECMK-SFHVURJKSA-N 0 0 599.804 4.750 50 30 KJEARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979009 553975484 /nfs/dbraw/zinc/97/54/84/553975484.db2.gz GZAOHTRHNOASMF-UHFFFAOYSA-N 0 0 564.693 4.568 50 30 KJEARN CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000097979087 553976109 /nfs/dbraw/zinc/97/61/09/553976109.db2.gz RKGKYHXWRCLNDU-UHFFFAOYSA-N 0 0 571.696 4.651 50 30 KJEARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979198 553977279 /nfs/dbraw/zinc/97/72/79/553977279.db2.gz UMHQJLOZLWOTAT-UHFFFAOYSA-N 0 0 729.951 4.843 50 30 KJEARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979200 553977254 /nfs/dbraw/zinc/97/72/54/553977254.db2.gz LYMRJKYLFNGHJF-UHFFFAOYSA-N 0 0 520.986 4.735 50 30 KJEARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)n2-c2ccccc2)c1 ZINC000097979219 553977271 /nfs/dbraw/zinc/97/72/71/553977271.db2.gz SWAJUHPFFPDFEF-UHFFFAOYSA-N 0 0 695.893 4.946 50 30 KJEARN O=C(COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000097979243 553977535 /nfs/dbraw/zinc/97/75/35/553977535.db2.gz FBJNWEAKEMLTLY-UHFFFAOYSA-N 0 0 580.713 4.855 50 30 KJEARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccccc1NC=CC(=O)C(F)(F)F ZINC000097979326 553978101 /nfs/dbraw/zinc/97/81/01/553978101.db2.gz DYFQYVXKZZEWGZ-MDZDMXLPSA-N 0 0 526.533 4.976 50 30 KJEARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979370 553978801 /nfs/dbraw/zinc/97/88/01/553978801.db2.gz MSDLKIQEZAQIPK-UHFFFAOYSA-N 0 0 546.605 4.541 50 30 KJEARN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)c3ccccc3n2)cc1OC ZINC000097979416 553979033 /nfs/dbraw/zinc/97/90/33/553979033.db2.gz WEMLOKDMLRBHGV-UHFFFAOYSA-N 0 0 616.696 4.965 50 30 KJEARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979488 553979705 /nfs/dbraw/zinc/97/97/05/553979705.db2.gz GHCLBLCVEJQFAR-UHFFFAOYSA-N 0 0 579.679 4.506 50 30 KJEARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979629 553981125 /nfs/dbraw/zinc/98/11/25/553981125.db2.gz OXMVKLPIAQGPJR-UHFFFAOYSA-N 0 0 605.742 4.766 50 30 KJEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000097979758 553982004 /nfs/dbraw/zinc/98/20/04/553982004.db2.gz YKGCRXMFEOVHOZ-ULJHMMPZSA-N 0 0 538.695 4.884 50 30 KJEARN O=C(COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979873 553983070 /nfs/dbraw/zinc/98/30/70/553983070.db2.gz MATUWGASXKMILK-UHFFFAOYSA-N 0 0 646.644 4.769 50 30 KJEARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCC4)cc1 ZINC000097979930 553983638 /nfs/dbraw/zinc/98/36/38/553983638.db2.gz NEAWKAHQRCRNRT-UHFFFAOYSA-N 0 0 637.809 4.926 50 30 KJEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000097980002 553984249 /nfs/dbraw/zinc/98/42/49/553984249.db2.gz ROCIBBXVJCXLTD-JLPGSUDCSA-N 0 0 550.599 4.530 50 30 KJEARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097980051 553984902 /nfs/dbraw/zinc/98/49/02/553984902.db2.gz LKLDVDNUDVLDCE-UHFFFAOYSA-N 0 0 529.713 4.552 50 30 KJEARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CCC4)C2=O)c1 ZINC000097980555 553989566 /nfs/dbraw/zinc/98/95/66/553989566.db2.gz PHQZOEVYDFNYNB-JJIBRWJFSA-N 0 0 546.674 4.779 50 30 KJEARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)C2=O)cc1 ZINC000097980570 553989639 /nfs/dbraw/zinc/98/96/39/553989639.db2.gz IBHKNKBHURIPIF-NHFJDJAPSA-N 0 0 558.660 4.976 50 30 KJEARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)C2=O)cc1 ZINC000097980571 553989493 /nfs/dbraw/zinc/98/94/93/553989493.db2.gz LRAGRAATRCRRDV-ZXVVBBHZSA-N 0 0 558.660 4.582 50 30 KJEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000097980622 553990342 /nfs/dbraw/zinc/99/03/42/553990342.db2.gz FIUVXHWYJNKQCL-UHFFFAOYSA-N 0 0 561.085 4.644 50 30 KJEARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)cc2)c1C ZINC000097980623 553990384 /nfs/dbraw/zinc/99/03/84/553990384.db2.gz NMKOYIOTONCROW-UHFFFAOYSA-N 0 0 554.694 4.607 50 30 KJEARN CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000097981628 553995985 /nfs/dbraw/zinc/99/59/85/553995985.db2.gz ICBNVMCQFXRBBP-GZTJUZNOSA-N 0 0 542.679 4.658 50 30 KJEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000097981632 553996021 /nfs/dbraw/zinc/99/60/21/553996021.db2.gz QXUJLDFQTSPLLI-YCRREMRBSA-N 0 0 524.624 4.853 50 30 KJEARN C=C1[C@@H](C(=O)Nc2ccc(I)cc2C)[C@@H]1C(=O)Nc1ccc(I)cc1C ZINC000097983738 554011309 /nfs/dbraw/zinc/01/13/09/554011309.db2.gz ASTHARAQHUALFN-QZTJIDSGSA-N 0 0 572.184 4.892 50 30 KJEARN CCCCCCCNS(=O)(=O)c1cc(S(=O)(=O)NCCCCCCC)c2cccc3c2c1NC3=O ZINC000097985266 554022142 /nfs/dbraw/zinc/02/21/42/554022142.db2.gz VZTRPZVHWOKPKV-UHFFFAOYSA-N 0 0 523.721 4.903 50 30 KJEARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000097990111 554028235 /nfs/dbraw/zinc/02/82/35/554028235.db2.gz MEDHFWYVTWJDOX-UHFFFAOYSA-N 0 0 545.444 4.957 50 30 KJEARN O=C(/C=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccc(Br)cc1 ZINC000097992921 1067141288 /nfs/dbraw/zinc/14/12/88/1067141288.db2.gz ZASPZWBSFANZPC-XFFZJAGNSA-N 0 0 502.386 4.626 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000097994922 554033070 /nfs/dbraw/zinc/03/30/70/554033070.db2.gz SOILPGLGRHODEJ-INIZCTEOSA-N 0 0 533.576 4.642 50 30 KJEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000097994923 554033011 /nfs/dbraw/zinc/03/30/11/554033011.db2.gz SOILPGLGRHODEJ-MRXNPFEDSA-N 0 0 533.576 4.642 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)C2=CC(=O)N3C(=NC(C)=C(C(=O)OCC)[C@H]3Cc3cccc(OC)c3OC)S2)cc1 ZINC000097995815 554037882 /nfs/dbraw/zinc/03/78/82/554037882.db2.gz ZUHBDTGCXVQLTH-OAQYLSRUSA-N 0 0 593.658 4.746 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)C2=CC(=O)N3C(=NC(C)=C(C(=O)OCC)[C@@H]3Cc3cccc(OC)c3OC)S2)cc1 ZINC000097995816 554037831 /nfs/dbraw/zinc/03/78/31/554037831.db2.gz ZUHBDTGCXVQLTH-NRFANRHFSA-N 0 0 593.658 4.746 50 30 KJEARN O=C(NCCCCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000097995836 554038109 /nfs/dbraw/zinc/03/81/09/554038109.db2.gz SLGXVRIHKVAJJW-UHFFFAOYSA-N 0 0 540.704 4.720 50 30 KJEARN 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C=CCn1c(SCC(=O)Nc2cc(C(=O)OCC)cc(C(=O)OCC)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000100737215 554461358 /nfs/dbraw/zinc/46/13/58/554461358.db2.gz JBXNYGOFEKZLIR-UHFFFAOYSA-N 0 0 555.678 4.607 50 30 KJEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000100770934 554470974 /nfs/dbraw/zinc/47/09/74/554470974.db2.gz XKWXFMKLMAQKRY-QPNXRCJGSA-N 0 0 580.776 4.582 50 30 KJEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100770959 554471267 /nfs/dbraw/zinc/47/12/67/554471267.db2.gz IUCDUJXVZAOORY-PEJDMIBISA-N 0 0 623.845 4.648 50 30 KJEARN CCN(CC)c1ccc([C@@H]2N(/C(C)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100770967 554471357 /nfs/dbraw/zinc/47/13/57/554471357.db2.gz UZLRJPGWGUIHLV-DVOBMNTKSA-N 0 0 568.765 4.962 50 30 KJEARN CCN(CC)c1ccc([C@H]2N(/C(C)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100770971 554471253 /nfs/dbraw/zinc/47/12/53/554471253.db2.gz UZLRJPGWGUIHLV-XZVYTFQUSA-N 0 0 568.765 4.962 50 30 KJEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1ccccc1 ZINC000100799635 554474548 /nfs/dbraw/zinc/47/45/48/554474548.db2.gz NYUBZNXZLQFURV-VUTHCHCSSA-N 0 0 538.052 4.638 50 30 KJEARN COc1ccc(NC2=C(n3nnc4ccccc43)C(=O)C(Nc3ccc(OC)cc3)=C(n3nnc4ccccc43)C2=O)cc1 ZINC000100801637 554474447 /nfs/dbraw/zinc/47/44/47/554474447.db2.gz WHLJWFQHCXLGLG-UHFFFAOYSA-N 0 0 584.596 4.607 50 30 KJEARN COc1cccc(NC2=C(n3nnc4ccccc43)C(=O)C(Nc3cccc(OC)c3)=C(n3nnc4ccccc43)C2=O)c1 ZINC000100801641 554474436 /nfs/dbraw/zinc/47/44/36/554474436.db2.gz GHPUJFDDHMMNAK-UHFFFAOYSA-N 0 0 584.596 4.607 50 30 KJEARN COc1ccccc1NC1=C(n2nnc3ccccc32)C(=O)C(Nc2ccccc2OC)=C(n2nnc3ccccc32)C1=O ZINC000100801643 554474454 /nfs/dbraw/zinc/47/44/54/554474454.db2.gz LPNQJJIKQFOABK-UHFFFAOYSA-N 0 0 584.596 4.607 50 30 KJEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@H]2c1ccc(O)cc1 ZINC000100821629 554480796 /nfs/dbraw/zinc/48/07/96/554480796.db2.gz PDRHAXUNAZIPEG-FQEVSTJZSA-N 0 0 504.568 4.877 50 30 KJEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@@H]2c1ccc(O)cc1 ZINC000100821631 554480673 /nfs/dbraw/zinc/48/06/73/554480673.db2.gz PDRHAXUNAZIPEG-HXUWFJFHSA-N 0 0 504.568 4.877 50 30 KJEARN COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O ZINC000100822253 554481274 /nfs/dbraw/zinc/48/12/74/554481274.db2.gz LOECEOVHAAEPKV-MEFGMAGPSA-N 0 0 525.380 4.606 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100824333 554482015 /nfs/dbraw/zinc/48/20/15/554482015.db2.gz KRBOXIBMWJLNTL-SUYRBLAESA-N 0 0 531.590 4.753 50 30 KJEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100824337 554482006 /nfs/dbraw/zinc/48/20/06/554482006.db2.gz KRBOXIBMWJLNTL-LKIAPMPTSA-N 0 0 531.590 4.753 50 30 KJEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100824932 554481934 /nfs/dbraw/zinc/48/19/34/554481934.db2.gz LNXLCDBQLYRFSL-DXWCKFLSSA-N 0 0 533.606 4.983 50 30 KJEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100824934 554481930 /nfs/dbraw/zinc/48/19/30/554481930.db2.gz LNXLCDBQLYRFSL-OJEZVBBGSA-N 0 0 533.606 4.983 50 30 KJEARN CCCCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000100825307 554481942 /nfs/dbraw/zinc/48/19/42/554481942.db2.gz NHFOUPYGTYKZNT-VNLJKWRZSA-N 0 0 507.612 4.569 50 30 KJEARN CCCCCCCOc1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000100825313 554481921 /nfs/dbraw/zinc/48/19/21/554481921.db2.gz NHFOUPYGTYKZNT-KDYMBEQYSA-N 0 0 507.612 4.569 50 30 KJEARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000100832378 554482907 /nfs/dbraw/zinc/48/29/07/554482907.db2.gz FFHLVLZSJBXLPG-POTDNYQPSA-N 0 0 526.951 4.857 50 30 KJEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccco2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000100835257 554483529 /nfs/dbraw/zinc/48/35/29/554483529.db2.gz VCPSSAIWVRCZSD-QRXMYIDTSA-N 0 0 533.378 4.984 50 30 KJEARN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000100837876 554484614 /nfs/dbraw/zinc/48/46/14/554484614.db2.gz RGLJPLOSORMVDC-POTDNYQPSA-N 0 0 526.951 4.857 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100837913 554484634 /nfs/dbraw/zinc/48/46/34/554484634.db2.gz FIGYYSYVAUBMES-NNAGEYCMSA-N 0 0 568.651 4.774 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100837914 554484591 /nfs/dbraw/zinc/48/45/91/554484591.db2.gz FIGYYSYVAUBMES-PQRKSKNISA-N 0 0 568.651 4.774 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCCCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100837958 554484938 /nfs/dbraw/zinc/48/49/38/554484938.db2.gz UIFJAAIBAYEBCV-XIJDOWMKSA-N 0 0 532.662 4.542 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCCCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100837961 554484971 /nfs/dbraw/zinc/48/49/71/554484971.db2.gz UIFJAAIBAYEBCV-BSGTYYGESA-N 0 0 532.662 4.542 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCCCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838031 554484908 /nfs/dbraw/zinc/48/49/08/554484908.db2.gz KZBGOCROPHYEMX-QWYUUOJISA-N 0 0 562.688 4.551 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCCCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838032 554484902 /nfs/dbraw/zinc/48/49/02/554484902.db2.gz KZBGOCROPHYEMX-QVOHLBINSA-N 0 0 562.688 4.551 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(Cl)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838351 554485709 /nfs/dbraw/zinc/48/57/09/554485709.db2.gz KYCYZECWHPAVQU-SUUDBTLLSA-N 0 0 612.107 4.543 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(Cl)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838352 554485764 /nfs/dbraw/zinc/48/57/64/554485764.db2.gz KYCYZECWHPAVQU-PGFYKJRFSA-N 0 0 612.107 4.543 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838353 554485748 /nfs/dbraw/zinc/48/57/48/554485748.db2.gz CGPYBBCNLRBSIR-SUUDBTLLSA-N 0 0 585.726 4.660 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838354 554485724 /nfs/dbraw/zinc/48/57/24/554485724.db2.gz CGPYBBCNLRBSIR-PGFYKJRFSA-N 0 0 585.726 4.660 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000100838990 554487043 /nfs/dbraw/zinc/48/70/43/554487043.db2.gz NAQZCCLVIHPYHE-SUUDBTLLSA-N 0 0 587.742 4.883 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000100838994 554487041 /nfs/dbraw/zinc/48/70/41/554487041.db2.gz NAQZCCLVIHPYHE-PGFYKJRFSA-N 0 0 587.742 4.883 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4Cl)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100839045 554487029 /nfs/dbraw/zinc/48/70/29/554487029.db2.gz ABECDCVIXPMYPJ-SUUDBTLLSA-N 0 0 612.107 4.543 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4Cl)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100839047 554487071 /nfs/dbraw/zinc/48/70/71/554487071.db2.gz ABECDCVIXPMYPJ-PGFYKJRFSA-N 0 0 612.107 4.543 50 30 KJEARN CCCCCCCCN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S ZINC000100840475 554488824 /nfs/dbraw/zinc/48/88/24/554488824.db2.gz YZGYPSAGKSXHDJ-ATJXCDBQSA-N 0 0 557.786 4.699 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000100842457 554489959 /nfs/dbraw/zinc/48/99/59/554489959.db2.gz ZZJAJIKORRELKH-AJASBIQKSA-N 0 0 613.736 4.577 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000100842459 554490030 /nfs/dbraw/zinc/49/00/30/554490030.db2.gz ZZJAJIKORRELKH-PBAWISNSSA-N 0 0 613.736 4.577 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000100842472 554489986 /nfs/dbraw/zinc/48/99/86/554489986.db2.gz ILFMCEPXGNQUAT-UYUFHXMSSA-N 0 0 555.700 4.652 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000100842473 554490025 /nfs/dbraw/zinc/49/00/25/554490025.db2.gz ILFMCEPXGNQUAT-IECPXTFPSA-N 0 0 555.700 4.652 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@H]1c1cccs1 ZINC000100842572 554489951 /nfs/dbraw/zinc/48/99/51/554489951.db2.gz SHOKDGHSQDMRJF-ULWNEYHBSA-N 0 0 561.729 4.713 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCCCCCC)C3=O)c(=O)n2[C@@H]1c1cccs1 ZINC000100842573 554490021 /nfs/dbraw/zinc/49/00/21/554490021.db2.gz SHOKDGHSQDMRJF-ZCCPQQFYSA-N 0 0 561.729 4.713 50 30 KJEARN O=C(Oc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000100843438 554490339 /nfs/dbraw/zinc/49/03/39/554490339.db2.gz NMWSWCGHMSLTAR-UHFFFAOYSA-N 0 0 531.484 4.919 50 30 KJEARN CCOC(=O)c1sc(N=NC(C(=O)Nc2cccc(OC)c2)C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000100844885 554490873 /nfs/dbraw/zinc/49/08/73/554490873.db2.gz RQWDZYCRPCLEQE-XHLNEMQHSA-N 0 0 582.591 4.616 50 30 KJEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(OCCC)cc4)nn3c2=O)C1=O ZINC000100846909 554491508 /nfs/dbraw/zinc/49/15/08/554491508.db2.gz DXFJQEPQYURVTQ-VHXPQNKSSA-N 0 0 502.640 4.842 50 30 KJEARN CCCCCCCOc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000100859736 554494346 /nfs/dbraw/zinc/49/43/46/554494346.db2.gz NHFOUPYGTYKZNT-JECJHWOISA-N 0 0 507.612 4.569 50 30 KJEARN CCCCCCCOc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000100859738 554494398 /nfs/dbraw/zinc/49/43/98/554494398.db2.gz NHFOUPYGTYKZNT-DIVQNALZSA-N 0 0 507.612 4.569 50 30 KJEARN COc1ccc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2cccc(O)c2)cc1OC ZINC000100860022 554494668 /nfs/dbraw/zinc/49/46/68/554494668.db2.gz OQBLOVXWJBXFHK-VYWACZOYSA-N 0 0 539.013 4.930 50 30 KJEARN COc1ccc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2cccc(O)c2)cc1OC ZINC000100860024 554494645 /nfs/dbraw/zinc/49/46/45/554494645.db2.gz OQBLOVXWJBXFHK-GKNVEZOISA-N 0 0 539.013 4.930 50 30 KJEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000100871421 554499305 /nfs/dbraw/zinc/49/93/05/554499305.db2.gz NRRSMQDXOJMBPJ-ASSGYOTOSA-N 0 0 528.655 4.605 50 30 KJEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000100871422 554499311 /nfs/dbraw/zinc/49/93/11/554499311.db2.gz NRRSMQDXOJMBPJ-OGRZUZBBSA-N 0 0 528.655 4.605 50 30 KJEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1 ZINC000100874102 554502796 /nfs/dbraw/zinc/50/27/96/554502796.db2.gz UIZZNLSNKJXEIM-RQZHXJHFSA-N 0 0 529.684 4.617 50 30 KJEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100874120 554502827 /nfs/dbraw/zinc/50/28/27/554502827.db2.gz QNSZMFPEJCUQLJ-FLWNBWAVSA-N 0 0 561.685 4.948 50 30 KJEARN C=CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000100874210 554503161 /nfs/dbraw/zinc/50/31/61/554503161.db2.gz ZHHRGIBRJUJIBL-DQSJHHFOSA-N 0 0 543.711 4.719 50 30 KJEARN CS(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2SC(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000100885445 554508381 /nfs/dbraw/zinc/50/83/81/554508381.db2.gz WTKKKZSODYXOSN-UHFFFAOYSA-N 0 0 549.446 4.931 50 30 KJEARN CCCCCCCCOc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000100895818 554513979 /nfs/dbraw/zinc/51/39/79/554513979.db2.gz LKWFOKIWNHASQO-IOCYEQIYSA-N 0 0 521.639 4.959 50 30 KJEARN CCCCCCCCOc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1OC ZINC000100895820 554514057 /nfs/dbraw/zinc/51/40/57/554514057.db2.gz LKWFOKIWNHASQO-MQHZAWOVSA-N 0 0 521.639 4.959 50 30 KJEARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000100899844 554514385 /nfs/dbraw/zinc/51/43/85/554514385.db2.gz DQQVYCFENVLXHV-POTDNYQPSA-N 0 0 526.951 4.857 50 30 KJEARN CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000100902207 554515045 /nfs/dbraw/zinc/51/50/45/554515045.db2.gz NVOYGZSYYCKWSL-BWAHOGKJSA-N 0 0 550.750 4.652 50 30 KJEARN COc1ccc(/C(C)=N\OCc2nc3c4c5c(sc4ncn3n2)CN(Cc2ccccc2)CC5)cc1OC ZINC000100904648 554515294 /nfs/dbraw/zinc/51/52/94/554515294.db2.gz ZVERYTQMNAJAEC-CAQPMQTCSA-N 0 0 528.638 4.855 50 30 KJEARN COc1ccc(C(=N\c2ccccc2)/N=c2\sc3c(n2-c2ccccc2)=NP(OC)(OC)=NC=3OC)cc1 ZINC000100904650 554515304 /nfs/dbraw/zinc/51/53/04/554515304.db2.gz VQZCGXGBRVMWMY-VSFSVOGPSA-N 0 0 547.577 4.811 50 30 KJEARN C=CCn1c2ccc3ccccc3c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100909684 554516724 /nfs/dbraw/zinc/51/67/24/554516724.db2.gz BMZYIPOURRWOIT-IKPAITLHSA-N 0 0 529.647 4.601 50 30 KJEARN O=C(NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000100913706 554518841 /nfs/dbraw/zinc/51/88/41/554518841.db2.gz KIOHZFSCNPVHBN-UHFFFAOYSA-N 0 0 532.359 4.747 50 30 KJEARN O=C(CC1S/C(=N\S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100918708 554520542 /nfs/dbraw/zinc/52/05/42/554520542.db2.gz FFCXSZXBVDEEOP-UOODYVSWSA-N 0 0 500.001 4.562 50 30 KJEARN O=C(CC1S/C(=N\S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100918712 554520534 /nfs/dbraw/zinc/52/05/34/554520534.db2.gz FFCXSZXBVDEEOP-HZYJKNPPSA-N 0 0 500.001 4.562 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000100930077 554526531 /nfs/dbraw/zinc/52/65/31/554526531.db2.gz VKAIOFMSZTUDEV-XTHXZNCLSA-N 0 0 578.669 4.864 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000100930080 554526457 /nfs/dbraw/zinc/52/64/57/554526457.db2.gz VKAIOFMSZTUDEV-LXLYTFERSA-N 0 0 578.669 4.864 50 30 KJEARN Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100934109 554528604 /nfs/dbraw/zinc/52/86/04/554528604.db2.gz IFDPVUHHBCLZCY-HSZRJFAPSA-N 0 0 526.964 4.918 50 30 KJEARN Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100934112 554528568 /nfs/dbraw/zinc/52/85/68/554528568.db2.gz IFDPVUHHBCLZCY-QHCPKHFHSA-N 0 0 526.964 4.918 50 30 KJEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100934208 554528530 /nfs/dbraw/zinc/52/85/30/554528530.db2.gz PJBWLYSKALQKDZ-HHHXNRCGSA-N 0 0 546.542 4.742 50 30 KJEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100934211 554528559 /nfs/dbraw/zinc/52/85/59/554528559.db2.gz PJBWLYSKALQKDZ-MHZLTWQESA-N 0 0 546.542 4.742 50 30 KJEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)C3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000100934329 554528851 /nfs/dbraw/zinc/52/88/51/554528851.db2.gz COBGZNQYHHJXPS-HHHXNRCGSA-N 0 0 536.591 4.729 50 30 KJEARN COc1ccc(CCN2C(=O)[C@](NC(=O)C3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000100934334 554528867 /nfs/dbraw/zinc/52/88/67/554528867.db2.gz COBGZNQYHHJXPS-MHZLTWQESA-N 0 0 536.591 4.729 50 30 KJEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100934410 554528917 /nfs/dbraw/zinc/52/89/17/554528917.db2.gz ZPQBCBUYKBBIQA-AREMUKBSSA-N 0 0 534.506 4.559 50 30 KJEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100934414 554528900 /nfs/dbraw/zinc/52/89/00/554528900.db2.gz ZPQBCBUYKBBIQA-SANMLTNESA-N 0 0 534.506 4.559 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@H]1c1ccccc1OC ZINC000100948686 554536783 /nfs/dbraw/zinc/53/67/83/554536783.db2.gz YWHXIJCNMICYKJ-VWLOTQADSA-N 0 0 507.587 4.845 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@@H]1c1ccccc1OC ZINC000100948690 554536744 /nfs/dbraw/zinc/53/67/44/554536744.db2.gz YWHXIJCNMICYKJ-RUZDIDTESA-N 0 0 507.587 4.845 50 30 KJEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100952381 554537746 /nfs/dbraw/zinc/53/77/46/554537746.db2.gz XWPXIZKBHVNFTB-OJEZVBBGSA-N 0 0 535.622 4.882 50 30 KJEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100952384 554537787 /nfs/dbraw/zinc/53/77/87/554537787.db2.gz XWPXIZKBHVNFTB-DXWCKFLSSA-N 0 0 535.622 4.882 50 30 KJEARN COC(=O)[C@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC(C)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000100952586 554537797 /nfs/dbraw/zinc/53/77/97/554537797.db2.gz KUCUPZPBWTYCCF-NLOYNPKYSA-N 0 0 522.557 4.554 50 30 KJEARN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000100975145 554546421 /nfs/dbraw/zinc/54/64/21/554546421.db2.gz AGYRXUOOTKARKZ-UAPGPWSHSA-N 0 0 500.001 4.562 50 30 KJEARN O=C(CC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000100975150 554546415 /nfs/dbraw/zinc/54/64/15/554546415.db2.gz AGYRXUOOTKARKZ-FXFSXJFASA-N 0 0 500.001 4.562 50 30 KJEARN C=CCn1c(CCCN2C(=O)c3cccc4cccc(c43)C2=O)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000100976112 554546937 /nfs/dbraw/zinc/54/69/37/554546937.db2.gz XNLYVVGLMPCCMZ-UHFFFAOYSA-N 0 0 526.618 4.925 50 30 KJEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100988719 554549339 /nfs/dbraw/zinc/54/93/39/554549339.db2.gz QEPKRVFUMBFREL-LOKDYWJISA-N 0 0 554.027 4.963 50 30 KJEARN COc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2-c2ccccc2)cc1 ZINC000100988722 554549416 /nfs/dbraw/zinc/54/94/16/554549416.db2.gz SZHDWTIFMVLJBN-RDXJAXKBSA-N 0 0 554.027 4.963 50 30 KJEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1-c1ccccc1 ZINC000100988732 554549372 /nfs/dbraw/zinc/54/93/72/554549372.db2.gz DOVZNBOLHCHMLH-HQYUVRSBSA-N 0 0 554.027 4.963 50 30 KJEARN C=CCOc1ccccc1/C=c1/s/c(=C(/C#N)C(=O)Nc2ccccc2Cl)n(-c2ccc(C)c(C)c2)c1=O ZINC000100988999 554549678 /nfs/dbraw/zinc/54/96/78/554549678.db2.gz PECFEIUGLKDQFF-HQYUVRSBSA-N 0 0 542.060 4.876 50 30 KJEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1-c1ccccc1 ZINC000100989037 554549663 /nfs/dbraw/zinc/54/96/63/554549663.db2.gz WFYXBRXRLBPETJ-JSTWGCDDSA-N 0 0 568.998 4.862 50 30 KJEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000100989038 554549624 /nfs/dbraw/zinc/54/96/24/554549624.db2.gz PDQYSWDMZITXED-MJHDJXAISA-N 0 0 568.998 4.862 50 30 KJEARN Cc1ccc(C)c(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)c1 ZINC000100989060 554549628 /nfs/dbraw/zinc/54/96/28/554549628.db2.gz RDDVSEVOJXXAMZ-LLLYFUSZSA-N 0 0 562.607 4.826 50 30 KJEARN Cc1cccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)c1 ZINC000100989079 554549621 /nfs/dbraw/zinc/54/96/21/554549621.db2.gz XJCNGZNRMPSBRW-RDXJAXKBSA-N 0 0 548.580 4.517 50 30 KJEARN Cc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)cc1C ZINC000100989097 554549591 /nfs/dbraw/zinc/54/95/91/554549591.db2.gz DHWCWEFQKHLUNM-YLJYHGGMSA-N 0 0 562.607 4.826 50 30 KJEARN Cc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)cc1C ZINC000100989101 554549681 /nfs/dbraw/zinc/54/96/81/554549681.db2.gz BJWJCORZYKGEHM-QPVKGUELSA-N 0 0 562.607 4.826 50 30 KJEARN CCOc1cccc([C@@H]2C(C(=O)c3cc(Br)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000100992280 554550386 /nfs/dbraw/zinc/55/03/86/554550386.db2.gz SGDKCGFYAFDMMV-HSZRJFAPSA-N 0 0 531.447 4.864 50 30 KJEARN CCOc1cccc([C@H]2C(C(=O)c3cc(Br)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000100992283 554550398 /nfs/dbraw/zinc/55/03/98/554550398.db2.gz SGDKCGFYAFDMMV-QHCPKHFHSA-N 0 0 531.447 4.864 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3cc(Br)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000100992288 554550405 /nfs/dbraw/zinc/55/04/05/554550405.db2.gz FOAREGBHYHPXOL-HSZRJFAPSA-N 0 0 531.447 4.864 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3cc(Br)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000100992290 554550298 /nfs/dbraw/zinc/55/02/98/554550298.db2.gz FOAREGBHYHPXOL-QHCPKHFHSA-N 0 0 531.447 4.864 50 30 KJEARN COc1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(I)c1O ZINC000101012823 554558431 /nfs/dbraw/zinc/55/84/31/554558431.db2.gz FSELNUSGRJMTRY-OAQYLSRUSA-N 0 0 542.398 4.818 50 30 KJEARN COc1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(I)c1O ZINC000101012826 554558498 /nfs/dbraw/zinc/55/84/98/554558498.db2.gz FSELNUSGRJMTRY-NRFANRHFSA-N 0 0 542.398 4.818 50 30 KJEARN N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000101022107 554561783 /nfs/dbraw/zinc/56/17/83/554561783.db2.gz GQAIFDVZEYVSTE-FORYOTRWSA-N 0 0 562.434 4.878 50 30 KJEARN Cc1ccccc1NC(=O)/C(C#N)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000101025262 554563456 /nfs/dbraw/zinc/56/34/56/554563456.db2.gz MUKDOIKZDJNLHP-DSQDTXNJSA-N 0 0 548.580 4.517 50 30 KJEARN N#C/C(C(=O)Nc1ccccc1)=c1\s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000101025300 554563452 /nfs/dbraw/zinc/56/34/52/554563452.db2.gz YVZZGBLVSYSLHZ-NGUNKSDRSA-N 0 0 524.001 4.954 50 30 KJEARN COC(=O)[C@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000101025393 554563598 /nfs/dbraw/zinc/56/35/98/554563598.db2.gz RZBCFKXJEQWHAQ-DEJVGURISA-N 0 0 539.544 4.546 50 30 KJEARN C=CCn1c(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)nc2scc(-c3ccccc3)c2c1=O ZINC000101033312 554565365 /nfs/dbraw/zinc/56/53/65/554565365.db2.gz QYYWKWMYQBMJAV-UHFFFAOYSA-N 0 0 536.660 4.996 50 30 KJEARN Cc1cc(Br)c(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3)nc(N3CCOCC3)n2)cc1Cl ZINC000101055997 554569493 /nfs/dbraw/zinc/56/94/93/554569493.db2.gz HHYRSHYCJZZUDD-MSXFZWOLSA-N 0 0 547.801 4.530 50 30 KJEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000101062459 554570334 /nfs/dbraw/zinc/57/03/34/554570334.db2.gz DZTIOSWSCRWCIT-ZHHPLPSFSA-N 0 0 527.459 4.501 50 30 KJEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000101062460 554570425 /nfs/dbraw/zinc/57/04/25/554570425.db2.gz DZTIOSWSCRWCIT-AYWGPLOBSA-N 0 0 527.459 4.501 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000101062511 554570653 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554646970 /nfs/dbraw/zinc/64/69/70/554646970.db2.gz LPGANLUIQOSREO-XCQFLATRSA-N 0 0 618.715 4.834 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128714 554646955 /nfs/dbraw/zinc/64/69/55/554646955.db2.gz LPGANLUIQOSREO-QYJHSCKRSA-N 0 0 618.715 4.834 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128865 554647389 /nfs/dbraw/zinc/64/73/89/554647389.db2.gz UONVPZIWKAJXJK-CYGYJLBOSA-N 0 0 588.689 4.826 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128868 554647408 /nfs/dbraw/zinc/64/74/08/554647408.db2.gz UONVPZIWKAJXJK-YOWYGEOISA-N 0 0 588.689 4.826 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128871 554647393 /nfs/dbraw/zinc/64/73/93/554647393.db2.gz VDFSRTJZJIEANF-URFJJRPFSA-N 0 0 606.679 4.965 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128877 554647421 /nfs/dbraw/zinc/64/74/21/554647421.db2.gz VDFSRTJZJIEANF-SVXDAGRPSA-N 0 0 606.679 4.965 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101129198 554647883 /nfs/dbraw/zinc/64/78/83/554647883.db2.gz GEYDWOGWGXXSRV-OCEWKHMESA-N 0 0 547.032 4.886 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101129204 554647870 /nfs/dbraw/zinc/64/78/70/554647870.db2.gz GEYDWOGWGXXSRV-MKWGYRPRSA-N 0 0 547.032 4.886 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101129208 554647891 /nfs/dbraw/zinc/64/78/91/554647891.db2.gz NYZOLLYGAIFTJO-OCEWKHMESA-N 0 0 591.483 4.996 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101129212 554647863 /nfs/dbraw/zinc/64/78/63/554647863.db2.gz NYZOLLYGAIFTJO-MKWGYRPRSA-N 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COc1ccc([C@@H]2c3c(=N)n(CCc4ccc(OC)c(OC)c4)cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101147636 554656604 /nfs/dbraw/zinc/65/66/04/554656604.db2.gz PVLFAPSRVSFYIY-VWLOTQADSA-N 0 0 515.610 4.799 50 30 KJEARN COc1ccc([C@H]2c3c(=N)n(CCc4ccc(OC)c(OC)c4)cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101147642 554656586 /nfs/dbraw/zinc/65/65/86/554656586.db2.gz PVLFAPSRVSFYIY-RUZDIDTESA-N 0 0 515.610 4.799 50 30 KJEARN CCCCCCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000101154371 554658659 /nfs/dbraw/zinc/65/86/59/554658659.db2.gz MZVOLTGXCOLATM-UHFFFAOYSA-N 0 0 501.631 4.736 50 30 KJEARN CCCCCn1c2nc3ccccn3c(=O)c2cc(C#N)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000101156704 554658857 /nfs/dbraw/zinc/65/88/57/554658857.db2.gz NZFBGACNDJUKTE-MUGXBBEHSA-N 0 0 543.624 4.648 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101160709 554659542 /nfs/dbraw/zinc/65/95/42/554659542.db2.gz GWYRPZHXBAZKNG-NDEPHWFRSA-N 0 0 545.661 4.819 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101160714 554659540 /nfs/dbraw/zinc/65/95/40/554659540.db2.gz GWYRPZHXBAZKNG-MUUNZHRXSA-N 0 0 545.661 4.819 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3cc(Br)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000101162865 554660327 /nfs/dbraw/zinc/66/03/27/554660327.db2.gz HJYNRRGPVGAXFU-XMMPIXPASA-N 0 0 561.473 4.872 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3cc(Br)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000101162869 554660267 /nfs/dbraw/zinc/66/02/67/554660267.db2.gz HJYNRRGPVGAXFU-DEOSSOPVSA-N 0 0 561.473 4.872 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000101182720 554668122 /nfs/dbraw/zinc/66/81/22/554668122.db2.gz CDWVPXXQAYDDSW-UHFFFAOYSA-N 0 0 535.604 4.559 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2ccccc2OC)n1 ZINC000101183354 554668700 /nfs/dbraw/zinc/66/87/00/554668700.db2.gz TVCUJXCWQDSQTH-UHFFFAOYSA-N 0 0 535.604 4.559 50 30 KJEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000101184217 554668613 /nfs/dbraw/zinc/66/86/13/554668613.db2.gz FCNKYWARRQPTKA-UHFFFAOYSA-N 0 0 535.604 4.559 50 30 KJEARN Cn1nc(C(C)(C)C)cc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000101185737 554668887 /nfs/dbraw/zinc/66/88/87/554668887.db2.gz PYRFWGGERFESBZ-UHFFFAOYSA-N 0 0 565.674 4.746 50 30 KJEARN O=S(=O)(c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)N3CCCCC3)ccc1-2)N1CCCCC1 ZINC000101192781 554671033 /nfs/dbraw/zinc/67/10/33/554671033.db2.gz TZJANROIFBVNEB-UHFFFAOYSA-N 0 0 564.733 4.881 50 30 KJEARN COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)O/N=C(\C)c2ccc(F)cc2)n1 ZINC000101195536 554671988 /nfs/dbraw/zinc/67/19/88/554671988.db2.gz AYPFQODDULDFBD-IBBHUPRXSA-N 0 0 539.507 4.831 50 30 KJEARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)O/N=C(\C)c3ccc(F)cc3)n2)cc1OC ZINC000101195629 554672018 /nfs/dbraw/zinc/67/20/18/554672018.db2.gz HCRAPRXDQDSZFC-VWJSQJICSA-N 0 0 569.533 4.840 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204748 554674755 /nfs/dbraw/zinc/67/47/55/554674755.db2.gz QRBJSCWEDLTVTB-WGDIFIGCSA-N 0 0 602.478 4.732 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204751 554674933 /nfs/dbraw/zinc/67/49/33/554674933.db2.gz QRBJSCWEDLTVTB-QUGAMOGWSA-N 0 0 602.478 4.732 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204754 554674944 /nfs/dbraw/zinc/67/49/44/554674944.db2.gz QRBJSCWEDLTVTB-MRDQGFSESA-N 0 0 602.478 4.732 50 30 KJEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204758 554674946 /nfs/dbraw/zinc/67/49/46/554674946.db2.gz QRBJSCWEDLTVTB-QLXKLKPCSA-N 0 0 602.478 4.732 50 30 KJEARN C=CCN(CC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000101208470 554677742 /nfs/dbraw/zinc/67/77/42/554677742.db2.gz IXMMVXCGMYBBCK-OAQYLSRUSA-N 0 0 554.947 4.588 50 30 KJEARN C=CCN(CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000101208472 554677738 /nfs/dbraw/zinc/67/77/38/554677738.db2.gz IXMMVXCGMYBBCK-NRFANRHFSA-N 0 0 554.947 4.588 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000101208839 554678080 /nfs/dbraw/zinc/67/80/80/554678080.db2.gz VOAGSAHXTJNEJT-UHFFFAOYSA-N 0 0 541.652 4.625 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101208950 554678091 /nfs/dbraw/zinc/67/80/91/554678091.db2.gz AOWAGADWXLLVSW-UHFFFAOYSA-N 0 0 547.055 4.578 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101208952 554678099 /nfs/dbraw/zinc/67/80/99/554678099.db2.gz NFYYCCFIUJRLQL-UHFFFAOYSA-N 0 0 535.019 4.708 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000101209256 554678269 /nfs/dbraw/zinc/67/82/69/554678269.db2.gz SGRDKGBNKZRPAH-UHFFFAOYSA-N 0 0 533.625 4.881 50 30 KJEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209530 554678211 /nfs/dbraw/zinc/67/82/11/554678211.db2.gz GACQMNCURJMDRT-UHFFFAOYSA-N 0 0 554.478 4.826 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1cccc(Cl)c1 ZINC000101210050 554678689 /nfs/dbraw/zinc/67/86/89/554678689.db2.gz RWQDABBSEKXALA-DEOSSOPVSA-N 0 0 532.037 4.657 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1cccc(Cl)c1 ZINC000101210052 554678744 /nfs/dbraw/zinc/67/87/44/554678744.db2.gz RWQDABBSEKXALA-XMMPIXPASA-N 0 0 532.037 4.657 50 30 KJEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000101210096 554678751 /nfs/dbraw/zinc/67/87/51/554678751.db2.gz DXFSODHAKXMMFK-UHFFFAOYSA-N 0 0 535.623 4.927 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000101210127 554678734 /nfs/dbraw/zinc/67/87/34/554678734.db2.gz YMDVERXDXPEVGQ-UHFFFAOYSA-N 0 0 533.579 4.586 50 30 KJEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)c1cccc(OC)c1 ZINC000101210241 554679044 /nfs/dbraw/zinc/67/90/44/554679044.db2.gz MSWOJMFZOARWOB-UHFFFAOYSA-N 0 0 533.625 4.881 50 30 KJEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000101210500 554679309 /nfs/dbraw/zinc/67/93/09/554679309.db2.gz AUPSFKYONYWTHZ-UHFFFAOYSA-N 0 0 535.623 4.927 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccccc1F ZINC000101210514 554679351 /nfs/dbraw/zinc/67/93/51/554679351.db2.gz PGLHWONADAKWCN-UHFFFAOYSA-N 0 0 533.579 4.586 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1)C(=O)c1ccccc1Cl ZINC000101212634 554679813 /nfs/dbraw/zinc/67/98/13/554679813.db2.gz ZSZZAKQWIXITEX-UHFFFAOYSA-N 0 0 538.092 4.771 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101212744 554680036 /nfs/dbraw/zinc/68/00/36/554680036.db2.gz PKRKTNPKYXZVSU-RNWIMVQKSA-N 0 0 563.647 4.820 50 30 KJEARN COC(=O)c1ccc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101212747 554679968 /nfs/dbraw/zinc/67/99/68/554679968.db2.gz PKRKTNPKYXZVSU-BTYSJIOQSA-N 0 0 563.647 4.820 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101212749 554680023 /nfs/dbraw/zinc/68/00/23/554680023.db2.gz PKRKTNPKYXZVSU-MUAVYFROSA-N 0 0 563.647 4.820 50 30 KJEARN COC(=O)c1ccc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101212753 554680021 /nfs/dbraw/zinc/68/00/21/554680021.db2.gz PKRKTNPKYXZVSU-IADCTJSHSA-N 0 0 563.647 4.820 50 30 KJEARN CCOc1ccc(Cl)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)c1=O ZINC000101216228 554682896 /nfs/dbraw/zinc/68/28/96/554682896.db2.gz KPDKJKPUOAHIFF-TUECKBEMSA-N 0 0 536.440 4.746 50 30 KJEARN COc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218318 554685503 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ZINC000101218558 554685678 /nfs/dbraw/zinc/68/56/78/554685678.db2.gz PZJYKHQJJWRHIV-UHFFFAOYSA-N 0 0 534.613 4.811 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218709 554685940 /nfs/dbraw/zinc/68/59/40/554685940.db2.gz XOXNCCLEKLXMLO-QHCPKHFHSA-N 0 0 535.062 4.922 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218713 554685936 /nfs/dbraw/zinc/68/59/36/554685936.db2.gz XOXNCCLEKLXMLO-HSZRJFAPSA-N 0 0 535.062 4.922 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218724 554685901 /nfs/dbraw/zinc/68/59/01/554685901.db2.gz XLXZZGZSZYLVDO-XMMPIXPASA-N 0 0 547.098 4.792 50 30 KJEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218727 554685909 /nfs/dbraw/zinc/68/59/09/554685909.db2.gz XLXZZGZSZYLVDO-DEOSSOPVSA-N 0 0 547.098 4.792 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218754 554685921 /nfs/dbraw/zinc/68/59/21/554685921.db2.gz ODRXASLKVJFCTN-UHFFFAOYSA-N 0 0 582.126 4.818 50 30 KJEARN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O ZINC000101218922 554686096 /nfs/dbraw/zinc/68/60/96/554686096.db2.gz ADDUDLFEQNJZEO-RXYYWTOOSA-N 0 0 520.057 4.932 50 30 KJEARN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O ZINC000101218925 554686151 /nfs/dbraw/zinc/68/61/51/554686151.db2.gz ADDUDLFEQNJZEO-WAVOGARWSA-N 0 0 520.057 4.932 50 30 KJEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000101218926 554686070 /nfs/dbraw/zinc/68/60/70/554686070.db2.gz FXDTUCAPQBVPHR-UHFFFAOYSA-N 0 0 529.659 4.560 50 30 KJEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)S(=O)(=O)c1cccc2cccnc21 ZINC000101220440 554686571 /nfs/dbraw/zinc/68/65/71/554686571.db2.gz BEBWDCBPBOLSJU-UHFFFAOYSA-N 0 0 565.717 4.762 50 30 KJEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000101220495 554686557 /nfs/dbraw/zinc/68/65/57/554686557.db2.gz NDNZQUWSFZZRHC-UHFFFAOYSA-N 0 0 601.651 4.875 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101220570 554686623 /nfs/dbraw/zinc/68/66/23/554686623.db2.gz MCAKNBUVHVSDJK-SLGOVJDISA-N 0 0 593.673 4.968 50 30 KJEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101220573 554686568 /nfs/dbraw/zinc/68/65/68/554686568.db2.gz MCAKNBUVHVSDJK-IPBJYNAHSA-N 0 0 593.673 4.968 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101220574 554686589 /nfs/dbraw/zinc/68/65/89/554686589.db2.gz MCAKNBUVHVSDJK-GTYOFVGBSA-N 0 0 593.673 4.968 50 30 KJEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101220575 554686607 /nfs/dbraw/zinc/68/66/07/554686607.db2.gz MCAKNBUVHVSDJK-FWUCURJTSA-N 0 0 593.673 4.968 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000101220583 554686586 /nfs/dbraw/zinc/68/65/86/554686586.db2.gz OGAGRGOGVOQMSO-ONOMSOESSA-N 0 0 551.636 4.749 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000101220589 554686619 /nfs/dbraw/zinc/68/66/19/554686619.db2.gz OGAGRGOGVOQMSO-PBBNMVCDSA-N 0 0 551.636 4.749 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000101220593 554686621 /nfs/dbraw/zinc/68/66/21/554686621.db2.gz OGAGRGOGVOQMSO-KCWXNJEJSA-N 0 0 551.636 4.749 50 30 KJEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000101220597 554686548 /nfs/dbraw/zinc/68/65/48/554686548.db2.gz OGAGRGOGVOQMSO-LGGPFLRQSA-N 0 0 551.636 4.749 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220719 554686843 /nfs/dbraw/zinc/68/68/43/554686843.db2.gz KMRCEVYLDBAGEQ-YKGWIAGDSA-N 0 0 579.646 4.579 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220721 554686847 /nfs/dbraw/zinc/68/68/47/554686847.db2.gz KMRCEVYLDBAGEQ-RCRUUEGKSA-N 0 0 579.646 4.579 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220722 554686830 /nfs/dbraw/zinc/68/68/30/554686830.db2.gz KMRCEVYLDBAGEQ-SMSORMJASA-N 0 0 579.646 4.579 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220725 554686827 /nfs/dbraw/zinc/68/68/27/554686827.db2.gz KMRCEVYLDBAGEQ-CHJDUVSTSA-N 0 0 579.646 4.579 50 30 KJEARN CCOc1ccccc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=O ZINC000101225909 554688727 /nfs/dbraw/zinc/68/87/27/554688727.db2.gz XUTMVNFDQNVVAS-AUUJSOFQSA-N 0 0 536.440 4.746 50 30 KJEARN CCOc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=O)cc1 ZINC000101227041 554688929 /nfs/dbraw/zinc/68/89/29/554688929.db2.gz CLCHRACCXYBQEW-BEKRISOUSA-N 0 0 536.440 4.746 50 30 KJEARN CCOc1ccc(Cl)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O ZINC000101228338 554689135 /nfs/dbraw/zinc/68/91/35/554689135.db2.gz AQWAHCYXLKGDCG-SXEGHDIESA-N 0 0 536.440 4.746 50 30 KJEARN Cc1cccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)c1 ZINC000101228487 554689176 /nfs/dbraw/zinc/68/91/76/554689176.db2.gz XJCNGZNRMPSBRW-FYIQHRETSA-N 0 0 548.580 4.517 50 30 KJEARN C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCCN(C(=O)C(C)C)CC1 ZINC000101236258 554690844 /nfs/dbraw/zinc/69/08/44/554690844.db2.gz PEYRICJLJCWYGC-GDLZYMKVSA-N 0 0 560.695 4.739 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCCN(C(=O)C(C)C)CC1 ZINC000101236263 554690856 /nfs/dbraw/zinc/69/08/56/554690856.db2.gz PEYRICJLJCWYGC-LJAQVGFWSA-N 0 0 560.695 4.739 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCCN(C(=O)CC(C)C)CC1 ZINC000101236315 554690834 /nfs/dbraw/zinc/69/08/34/554690834.db2.gz KIYFIMHABFSJEM-RUZDIDTESA-N 0 0 551.515 4.643 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCCN(C(=O)CC(C)C)CC1 ZINC000101236318 554690989 /nfs/dbraw/zinc/69/09/89/554690989.db2.gz KIYFIMHABFSJEM-VWLOTQADSA-N 0 0 551.515 4.643 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236348 554690962 /nfs/dbraw/zinc/69/09/62/554690962.db2.gz DHEDRWZUDDXTEK-HSZRJFAPSA-N 0 0 566.530 4.579 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000101236350 554691040 /nfs/dbraw/zinc/69/10/40/554691040.db2.gz DHEDRWZUDDXTEK-QHCPKHFHSA-N 0 0 566.530 4.579 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101236395 554691199 /nfs/dbraw/zinc/69/11/99/554691199.db2.gz JMTNTJPBEUXLFM-AREMUKBSSA-N 0 0 588.602 4.762 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101236397 554691273 /nfs/dbraw/zinc/69/12/73/554691273.db2.gz JMTNTJPBEUXLFM-SANMLTNESA-N 0 0 588.602 4.762 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000101236441 554691165 /nfs/dbraw/zinc/69/11/65/554691165.db2.gz ZLUHOFKTOBJSBV-UZUQRXQVSA-N 0 0 566.530 4.577 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000101236443 554691250 /nfs/dbraw/zinc/69/12/50/554691250.db2.gz ZLUHOFKTOBJSBV-HXOBKFHXSA-N 0 0 566.530 4.577 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000101236453 554691166 /nfs/dbraw/zinc/69/11/66/554691166.db2.gz BSBSSFRMSRNJDW-UZUQRXQVSA-N 0 0 566.530 4.577 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000101236455 554691175 /nfs/dbraw/zinc/69/11/75/554691175.db2.gz BSBSSFRMSRNJDW-HXOBKFHXSA-N 0 0 566.530 4.577 50 30 KJEARN C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@H](C)C1 ZINC000101236510 554691169 /nfs/dbraw/zinc/69/11/69/554691169.db2.gz RMHWGRLVPKBDDF-RNWIMVQKSA-N 0 0 575.710 4.673 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@H](C)C1 ZINC000101236513 554691212 /nfs/dbraw/zinc/69/12/12/554691212.db2.gz RMHWGRLVPKBDDF-BTYSJIOQSA-N 0 0 575.710 4.673 50 30 KJEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101236557 554691482 /nfs/dbraw/zinc/69/14/82/554691482.db2.gz FBYNSQRDSHOEQU-NIYFSFCBSA-N 0 0 571.505 4.909 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101236561 554691434 /nfs/dbraw/zinc/69/14/34/554691434.db2.gz FBYNSQRDSHOEQU-BCHFMIIMSA-N 0 0 571.505 4.909 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101236566 554691436 /nfs/dbraw/zinc/69/14/36/554691436.db2.gz XCJMQWVSKOSRRI-NIYFSFCBSA-N 0 0 571.505 4.909 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101236568 554691508 /nfs/dbraw/zinc/69/15/08/554691508.db2.gz XCJMQWVSKOSRRI-BCHFMIIMSA-N 0 0 571.505 4.909 50 30 KJEARN C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000101236812 554691469 /nfs/dbraw/zinc/69/14/69/554691469.db2.gz ZAUXXZMDORYZHG-HSZRJFAPSA-N 0 0 577.629 4.686 50 30 KJEARN C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000101236819 554691438 /nfs/dbraw/zinc/69/14/38/554691438.db2.gz ZAUXXZMDORYZHG-QHCPKHFHSA-N 0 0 577.629 4.686 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(C)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101236971 554691711 /nfs/dbraw/zinc/69/17/11/554691711.db2.gz DCIIQOBMMLWGKV-RDGATRHJSA-N 0 0 540.586 4.532 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(C)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101236973 554691697 /nfs/dbraw/zinc/69/16/97/554691697.db2.gz DCIIQOBMMLWGKV-DHLKQENFSA-N 0 0 540.586 4.532 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(C)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101236977 554691674 /nfs/dbraw/zinc/69/16/74/554691674.db2.gz DCIIQOBMMLWGKV-RCZVLFRGSA-N 0 0 540.586 4.532 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(C)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101236980 554691639 /nfs/dbraw/zinc/69/16/39/554691639.db2.gz DCIIQOBMMLWGKV-WIOPSUGQSA-N 0 0 540.586 4.532 50 30 KJEARN Cc1cccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)c1 ZINC000101237134 554691663 /nfs/dbraw/zinc/69/16/63/554691663.db2.gz LUUJNAGWGHTAHR-DSQDTXNJSA-N 0 0 548.580 4.517 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237189 554691671 /nfs/dbraw/zinc/69/16/71/554691671.db2.gz MSTJJVCIMPRDOC-OZXSUGGESA-N 0 0 552.597 4.678 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237192 554691650 /nfs/dbraw/zinc/69/16/50/554691650.db2.gz MSTJJVCIMPRDOC-JYFHCDHNSA-N 0 0 552.597 4.678 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237195 554691643 /nfs/dbraw/zinc/69/16/43/554691643.db2.gz MSTJJVCIMPRDOC-BVAGGSTKSA-N 0 0 552.597 4.678 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237198 554691632 /nfs/dbraw/zinc/69/16/32/554691632.db2.gz MSTJJVCIMPRDOC-ZEQKJWHPSA-N 0 0 552.597 4.678 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC(C)(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237328 554691891 /nfs/dbraw/zinc/69/18/91/554691891.db2.gz KQEAANGXRWWCFL-QPPBQGQZSA-N 0 0 540.586 4.580 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC(C)(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237330 554691963 /nfs/dbraw/zinc/69/19/63/554691963.db2.gz KQEAANGXRWWCFL-URXFXBBRSA-N 0 0 540.586 4.580 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC(C)(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237333 554691978 /nfs/dbraw/zinc/69/19/78/554691978.db2.gz KQEAANGXRWWCFL-ZJSXRUAMSA-N 0 0 540.586 4.580 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC(C)(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237336 554691913 /nfs/dbraw/zinc/69/19/13/554691913.db2.gz KQEAANGXRWWCFL-XUZZJYLKSA-N 0 0 540.586 4.580 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237673 554692210 /nfs/dbraw/zinc/69/22/10/554692210.db2.gz INUAHALENJRPMN-DHLKQENFSA-N 0 0 558.576 4.924 50 30 KJEARN C=CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237676 554692194 /nfs/dbraw/zinc/69/21/94/554692194.db2.gz INUAHALENJRPMN-RDGATRHJSA-N 0 0 558.576 4.924 50 30 KJEARN 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KWKKYUWDOYTTRB-KSEXSDGBSA-N 0 0 575.419 4.748 50 30 KJEARN CCc1cccc(CC)c1NC(=S)N/N=C1/c2ccccc2N(CN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000101682518 554828700 /nfs/dbraw/zinc/82/87/00/554828700.db2.gz UVTPXKBFKSAROZ-IYOYZZHUSA-N 0 0 556.736 4.637 50 30 KJEARN CCc1cccc(CC)c1NC(=S)N/N=C1/c2ccccc2N(CN2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000101682615 554828717 /nfs/dbraw/zinc/82/87/17/554828717.db2.gz RZSBXFULOORYJI-MDVFONAFSA-N 0 0 544.700 4.768 50 30 KJEARN COc1cccc(NC(=S)N/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)c1 ZINC000101683454 554828767 /nfs/dbraw/zinc/82/87/67/554828767.db2.gz FGEJDXFEEGNZAC-QVTSOHHYSA-N 0 0 513.667 4.645 50 30 KJEARN COc1cccc(NC(=S)N/N=C2/c3ccccc3N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1 ZINC000101683515 554828694 /nfs/dbraw/zinc/82/86/94/554828694.db2.gz TVMGEVQYBPJVHP-IVQJCJPDSA-N 0 0 568.625 4.531 50 30 KJEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(OCC)cc1)C[C@@](C)(c1cccnc1)O2 ZINC000101684240 554828862 /nfs/dbraw/zinc/82/88/62/554828862.db2.gz WORYKLHSIFNEMP-NOJQWQQXSA-N 0 0 534.638 4.811 50 30 KJEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(OCC)cc1)C[C@](C)(c1cccnc1)O2 ZINC000101684242 554828889 /nfs/dbraw/zinc/82/88/89/554828889.db2.gz WORYKLHSIFNEMP-LLJYRHCUSA-N 0 0 534.638 4.811 50 30 KJEARN COc1ccccc1NC(=S)N(Cc1cn(C)nc1C)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000101709267 554831710 /nfs/dbraw/zinc/83/17/10/554831710.db2.gz BSAAVOQSEPBXOA-IBGZPJMESA-N 0 0 532.453 4.796 50 30 KJEARN NC1=C(c2nc3ccccc3s2)C(=O)C[C@@]1(c1nc2ccccc2s1)n1cnc2ccccc2c1=O ZINC000101778762 554838236 /nfs/dbraw/zinc/83/82/36/554838236.db2.gz YKWCRAHWBPSXIF-HHHXNRCGSA-N 0 0 507.600 4.702 50 30 KJEARN NC1=C(c2nc3ccccc3s2)C(=O)C[C@]1(c1nc2ccccc2s1)n1cnc2ccccc2c1=O ZINC000101778764 554838265 /nfs/dbraw/zinc/83/82/65/554838265.db2.gz YKWCRAHWBPSXIF-MHZLTWQESA-N 0 0 507.600 4.702 50 30 KJEARN CC(C)c1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000101950388 554853066 /nfs/dbraw/zinc/85/30/66/554853066.db2.gz IIYHOSRQRGDMCU-UHFFFAOYSA-O 0 0 564.405 4.966 50 30 KJEARN COc1cc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000102046469 554870171 /nfs/dbraw/zinc/87/01/71/554870171.db2.gz UROZMYLWAZBXEO-IBGZPJMESA-N 0 0 557.388 4.685 50 30 KJEARN COc1cc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000102046474 554870279 /nfs/dbraw/zinc/87/02/79/554870279.db2.gz UROZMYLWAZBXEO-LJQANCHMSA-N 0 0 557.388 4.685 50 30 KJEARN COc1cc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000102052614 554871953 /nfs/dbraw/zinc/87/19/53/554871953.db2.gz XNAXJMSWLTYVPO-PPHZAIPVSA-N 0 0 539.588 4.855 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(Br)cc2)cc(OC)c1OC ZINC000102052651 554871970 /nfs/dbraw/zinc/87/19/70/554871970.db2.gz JBFVDUUAWJWZTN-RBZFPXEDSA-N 0 0 526.387 4.862 50 30 KJEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cccc(Br)c2)cc(OC)c1OC ZINC000102052724 554871910 /nfs/dbraw/zinc/87/19/10/554871910.db2.gz VZIYLFGZVRXQEL-RBZFPXEDSA-N 0 0 526.387 4.862 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102076624 554874867 /nfs/dbraw/zinc/87/48/67/554874867.db2.gz YZYIOOQJUIFDQU-XIFSCCLJSA-N 0 0 548.680 4.579 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102076630 554874795 /nfs/dbraw/zinc/87/47/95/554874795.db2.gz YZYIOOQJUIFDQU-VVOYAKFZSA-N 0 0 548.680 4.579 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102076634 554874754 /nfs/dbraw/zinc/87/47/54/554874754.db2.gz YZYIOOQJUIFDQU-HXUDZCJASA-N 0 0 548.680 4.579 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102076640 554874741 /nfs/dbraw/zinc/87/47/41/554874741.db2.gz YZYIOOQJUIFDQU-OXKHXNLSSA-N 0 0 548.680 4.579 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102076858 554875166 /nfs/dbraw/zinc/87/51/66/554875166.db2.gz VBWJWLMVAJHLHD-UUALVTFQSA-N 0 0 531.609 4.591 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102076861 554875110 /nfs/dbraw/zinc/87/51/10/554875110.db2.gz VBWJWLMVAJHLHD-ONQGDUAMSA-N 0 0 531.609 4.591 50 30 KJEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102076875 554875370 /nfs/dbraw/zinc/87/53/70/554875370.db2.gz JZKNUPLVNGVGEJ-UUALVTFQSA-N 0 0 514.578 4.900 50 30 KJEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102076879 554875366 /nfs/dbraw/zinc/87/53/66/554875366.db2.gz JZKNUPLVNGVGEJ-ONQGDUAMSA-N 0 0 514.578 4.900 50 30 KJEARN Cc1cccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)c1 ZINC000102078267 554875516 /nfs/dbraw/zinc/87/55/16/554875516.db2.gz LUUJNAGWGHTAHR-UGLHAUBZSA-N 0 0 548.580 4.517 50 30 KJEARN C=CCn1c(=O)c(=C2Sc3ccc(Cl)cc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1ccccc1 ZINC000102100661 554881546 /nfs/dbraw/zinc/88/15/46/554881546.db2.gz CVTNRAASZGGBGZ-ABHBNJMISA-N 0 0 572.115 4.680 50 30 KJEARN CCOc1ccc(CCNC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1OCC ZINC000102131369 554885471 /nfs/dbraw/zinc/88/54/71/554885471.db2.gz NGQJDCGMJICJOY-JLPGSUDCSA-N 0 0 530.643 4.891 50 30 KJEARN CCOc1ccc(CCNC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1OCC ZINC000102131534 554885549 /nfs/dbraw/zinc/88/55/49/554885549.db2.gz MNWHULIRPQAYLK-JLPGSUDCSA-N 0 0 530.643 4.891 50 30 KJEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000102142747 554888952 /nfs/dbraw/zinc/88/89/52/554888952.db2.gz MJGOCUSNSGLJQE-IBGZPJMESA-N 0 0 543.041 4.764 50 30 KJEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000102142749 554888921 /nfs/dbraw/zinc/88/89/21/554888921.db2.gz MJGOCUSNSGLJQE-LJQANCHMSA-N 0 0 543.041 4.764 50 30 KJEARN COCCn1c2ncc(NCc3ccc(C#CC(C)(C)O)cc3)cc2c(NC(=O)CCc2ccccc2)c1C(=O)OC ZINC000102161876 1066218460 /nfs/dbraw/zinc/21/84/60/1066218460.db2.gz FFGTXOCKNNSOQO-UHFFFAOYSA-N 0 0 568.674 4.775 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000102168863 554890556 /nfs/dbraw/zinc/89/05/56/554890556.db2.gz YFURDMXGYMFEJT-CZNAVJSXSA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000102168867 554890577 /nfs/dbraw/zinc/89/05/77/554890577.db2.gz YFURDMXGYMFEJT-CJJGVWJISA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000102168981 554890980 /nfs/dbraw/zinc/89/09/80/554890980.db2.gz HSNKJNKCEJLHQE-CZNAVJSXSA-N 0 0 527.061 4.827 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000102168986 554890896 /nfs/dbraw/zinc/89/08/96/554890896.db2.gz HSNKJNKCEJLHQE-CJJGVWJISA-N 0 0 527.061 4.827 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102169069 554890861 /nfs/dbraw/zinc/89/08/61/554890861.db2.gz PYJRNWKVUAHTMZ-IUKMQXEJSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102169074 554890867 /nfs/dbraw/zinc/89/08/67/554890867.db2.gz PYJRNWKVUAHTMZ-NPJIAGGLSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000102169126 554890914 /nfs/dbraw/zinc/89/09/14/554890914.db2.gz BMRSNHBXSHEJHH-CZNAVJSXSA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000102169131 554890922 /nfs/dbraw/zinc/89/09/22/554890922.db2.gz BMRSNHBXSHEJHH-CJJGVWJISA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102169183 554890927 /nfs/dbraw/zinc/89/09/27/554890927.db2.gz UEZAQKSBBFPOIT-IUKMQXEJSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102169187 554890966 /nfs/dbraw/zinc/89/09/66/554890966.db2.gz UEZAQKSBBFPOIT-NPJIAGGLSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175195 554891942 /nfs/dbraw/zinc/89/19/42/554891942.db2.gz XYCJPOSPXOOOOA-CZNAVJSXSA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175203 554891932 /nfs/dbraw/zinc/89/19/32/554891932.db2.gz XYCJPOSPXOOOOA-CJJGVWJISA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000102175367 554891965 /nfs/dbraw/zinc/89/19/65/554891965.db2.gz LFTQSQKFFQKJIH-IUKMQXEJSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000102175372 554891895 /nfs/dbraw/zinc/89/18/95/554891895.db2.gz LFTQSQKFFQKJIH-NPJIAGGLSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175422 554891848 /nfs/dbraw/zinc/89/18/48/554891848.db2.gz QZLOSBAARXWCHR-CZNAVJSXSA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175426 554891906 /nfs/dbraw/zinc/89/19/06/554891906.db2.gz QZLOSBAARXWCHR-CJJGVWJISA-N 0 0 571.512 4.936 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000102175469 554892295 /nfs/dbraw/zinc/89/22/95/554892295.db2.gz ZJMBIZQUEFXRFZ-IUKMQXEJSA-N 0 0 501.539 4.955 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000102175472 554892301 /nfs/dbraw/zinc/89/23/01/554892301.db2.gz ZJMBIZQUEFXRFZ-NPJIAGGLSA-N 0 0 501.539 4.955 50 30 KJEARN COc1ccc(CC(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)cc1 ZINC000102185915 554893836 /nfs/dbraw/zinc/89/38/36/554893836.db2.gz JCVIMYSOYOFDNA-UHFFFAOYSA-N 0 0 549.627 4.653 50 30 KJEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)COCc4ccccc4)CC3)cc2=O)cc1 ZINC000102185921 554893838 /nfs/dbraw/zinc/89/38/38/554893838.db2.gz PWSNJPGBWPITMD-UHFFFAOYSA-N 0 0 549.627 4.618 50 30 KJEARN C=CCn1c(SCC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)nc2sc(-c3ccccc3)cc2c1=O ZINC000102220314 554898635 /nfs/dbraw/zinc/89/86/35/554898635.db2.gz NTBVHRWBWXUDHS-JOCHJYFZSA-N 0 0 548.646 4.867 50 30 KJEARN C=CCn1c(SCC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)nc2sc(-c3ccccc3)cc2c1=O ZINC000102220320 554898644 /nfs/dbraw/zinc/89/86/44/554898644.db2.gz NTBVHRWBWXUDHS-QFIPXVFZSA-N 0 0 548.646 4.867 50 30 KJEARN COc1ccc(NS(=O)(=O)c2cccc(N3CC(=O)C(c4nc(-c5ccc(Cl)cc5)cs4)=C3N)c2)cc1 ZINC000102234337 554901178 /nfs/dbraw/zinc/90/11/78/554901178.db2.gz AMPPUOORUFRGGN-UHFFFAOYSA-N 0 0 553.065 4.990 50 30 KJEARN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C1/C(=O)Nc2ccc(I)cc21 ZINC000102284141 554907287 /nfs/dbraw/zinc/90/72/87/554907287.db2.gz XOSZSYAEHKDJPA-BUHFOSPRSA-N 0 0 515.254 4.524 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000102304771 554909048 /nfs/dbraw/zinc/90/90/48/554909048.db2.gz AZADDVCMTPGTJF-ACJNQYEBSA-N 0 0 552.652 4.552 50 30 KJEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000102304777 554908982 /nfs/dbraw/zinc/90/89/82/554908982.db2.gz AZADDVCMTPGTJF-HSUOJCLFSA-N 0 0 552.652 4.552 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@H](C(=O)c2ccc(O)cc2O)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102308304 554909514 /nfs/dbraw/zinc/90/95/14/554909514.db2.gz FQQOLCWAWKNRDL-YECSISTDSA-N 0 0 627.675 4.707 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102308307 554909557 /nfs/dbraw/zinc/90/95/57/554909557.db2.gz FQQOLCWAWKNRDL-WNUXVYNKSA-N 0 0 627.675 4.707 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@H](C(=O)c2ccc(O)cc2O)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000102308311 554909549 /nfs/dbraw/zinc/90/95/49/554909549.db2.gz FQQOLCWAWKNRDL-QRFHUHNPSA-N 0 0 627.675 4.707 50 30 KJEARN Cc1ccc(S(=O)(=O)N/N=C(\C(=O)Nc2ccc(C)c(C)c2)[C@@H](C(=O)c2ccc(O)cc2O)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000102308317 554909438 /nfs/dbraw/zinc/90/94/38/554909438.db2.gz FQQOLCWAWKNRDL-YOJFHRFJSA-N 0 0 627.675 4.707 50 30 KJEARN Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000102324870 554912122 /nfs/dbraw/zinc/91/21/22/554912122.db2.gz XDQHLTIVPVHBHE-UHFFFAOYSA-N 0 0 517.348 4.524 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102368597 554915712 /nfs/dbraw/zinc/91/57/12/554915712.db2.gz QBRKXJHOBHDVMN-CZNAVJSXSA-N 0 0 506.643 4.525 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102368599 554915625 /nfs/dbraw/zinc/91/56/25/554915625.db2.gz QBRKXJHOBHDVMN-CJJGVWJISA-N 0 0 506.643 4.525 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102369370 554915951 /nfs/dbraw/zinc/91/59/51/554915951.db2.gz ZLQRTIJPVQDPNA-CJJGVWJISA-N 0 0 503.599 4.970 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102369373 554915939 /nfs/dbraw/zinc/91/59/39/554915939.db2.gz ZLQRTIJPVQDPNA-CZNAVJSXSA-N 0 0 503.599 4.970 50 30 KJEARN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102374094 554917848 /nfs/dbraw/zinc/91/78/48/554917848.db2.gz UCBBIVRDEZTLIE-ZHHPLPSFSA-N 0 0 524.415 4.945 50 30 KJEARN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102374097 554917857 /nfs/dbraw/zinc/91/78/57/554917857.db2.gz UCBBIVRDEZTLIE-AYWGPLOBSA-N 0 0 524.415 4.945 50 30 KJEARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc(C#CC(C)(C)O)cc3)cnc2n1C[C@@H]1CCCO1 ZINC000102405127 554920601 /nfs/dbraw/zinc/92/06/01/554920601.db2.gz RIZCEWDZMSQGRE-SANMLTNESA-N 0 0 566.658 4.989 50 30 KJEARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc(C#CC(C)(C)O)cc3)cnc2n1C[C@H]1CCCO1 ZINC000102405128 554920573 /nfs/dbraw/zinc/92/05/73/554920573.db2.gz RIZCEWDZMSQGRE-AREMUKBSSA-N 0 0 566.658 4.989 50 30 KJEARN O=C1c2ccccc2C(=O)C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=C1NS(=O)(=O)c1ccccc1 ZINC000102413569 554923992 /nfs/dbraw/zinc/92/39/92/554923992.db2.gz ODCHRKDEOVTMGW-UHFFFAOYSA-N 0 0 563.679 4.663 50 30 KJEARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000102424658 554925620 /nfs/dbraw/zinc/92/56/20/554925620.db2.gz OFAQWAKBQTWRLJ-POTDNYQPSA-N 0 0 571.402 4.966 50 30 KJEARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000102426568 554926010 /nfs/dbraw/zinc/92/60/10/554926010.db2.gz UNWJUYYXCJWMEJ-CWTOASCOSA-N 0 0 583.438 4.836 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OC)nc1C ZINC000102430822 554926806 /nfs/dbraw/zinc/92/68/06/554926806.db2.gz YNUVROXAYGCPFF-JBCNATCCSA-N 0 0 522.579 4.580 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OC)nc1C ZINC000102430830 554926749 /nfs/dbraw/zinc/92/67/49/554926749.db2.gz YNUVROXAYGCPFF-MRJHHRETSA-N 0 0 522.579 4.580 50 30 KJEARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000102433095 554927333 /nfs/dbraw/zinc/92/73/33/554927333.db2.gz BYNUOZWWDPQLIV-POTDNYQPSA-N 0 0 571.402 4.966 50 30 KJEARN N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(N3CCCC[C@@H]3CCN3CCOCC3)c2c1 ZINC000102434880 554927622 /nfs/dbraw/zinc/92/76/22/554927622.db2.gz ZKJVCHHCNMKDPU-HXUWFJFHSA-N 0 0 543.064 4.813 50 30 KJEARN N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(N3CCCC[C@H]3CCN3CCOCC3)c2c1 ZINC000102434885 554927584 /nfs/dbraw/zinc/92/75/84/554927584.db2.gz ZKJVCHHCNMKDPU-FQEVSTJZSA-N 0 0 543.064 4.813 50 30 KJEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102443806 554930302 /nfs/dbraw/zinc/93/03/02/554930302.db2.gz YOFZTKJFGWYBFW-WSEBHVOGSA-N 0 0 583.438 4.836 50 30 KJEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102445680 554930460 /nfs/dbraw/zinc/93/04/60/554930460.db2.gz IPPTZPQXXYMHOY-WSEBHVOGSA-N 0 0 601.428 4.975 50 30 KJEARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102445942 554930541 /nfs/dbraw/zinc/93/05/41/554930541.db2.gz PJQYFMYJOVQWMR-POTDNYQPSA-N 0 0 553.958 4.626 50 30 KJEARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000102448228 554931033 /nfs/dbraw/zinc/93/10/33/554931033.db2.gz AWTLCXWPANNOBH-CWTOASCOSA-N 0 0 567.985 4.935 50 30 KJEARN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102448286 554931088 /nfs/dbraw/zinc/93/10/88/554931088.db2.gz PDKSISDXLDTXHJ-POTDNYQPSA-N 0 0 553.958 4.626 50 30 KJEARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(OC)c(Br)c4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000102449411 554931222 /nfs/dbraw/zinc/93/12/22/554931222.db2.gz PSZJESILQDUURU-SATIQFTFSA-N 0 0 613.464 4.844 50 30 KJEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102450564 554931500 /nfs/dbraw/zinc/93/15/00/554931500.db2.gz QZLALYKOECLRPC-WSEBHVOGSA-N 0 0 601.428 4.975 50 30 KJEARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102451925 554932538 /nfs/dbraw/zinc/93/25/38/554932538.db2.gz UJDJOVUPBPBPNA-WSEBHVOGSA-N 0 0 601.428 4.975 50 30 KJEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000102458679 554934772 /nfs/dbraw/zinc/93/47/72/554934772.db2.gz KLIYIOYMKLPSEK-AJUHLQMASA-N 0 0 599.024 4.871 50 30 KJEARN Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)c(=O)c(C#N)c1C ZINC000102478927 554937089 /nfs/dbraw/zinc/93/70/89/554937089.db2.gz PHTNGZJSYDKKCM-UHFFFAOYSA-N 0 0 521.293 4.944 50 30 KJEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102482521 554937380 /nfs/dbraw/zinc/93/73/80/554937380.db2.gz NHBOUIHVQILMPP-JBCNATCCSA-N 0 0 506.580 4.744 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102482529 554937345 /nfs/dbraw/zinc/93/73/45/554937345.db2.gz NHBOUIHVQILMPP-MRJHHRETSA-N 0 0 506.580 4.744 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000102484353 554938007 /nfs/dbraw/zinc/93/80/07/554938007.db2.gz FQFAFEVMHGVQPF-QOISPNJLSA-N 0 0 578.706 4.588 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000102484363 554937974 /nfs/dbraw/zinc/93/79/74/554937974.db2.gz FQFAFEVMHGVQPF-FCLPXNLHSA-N 0 0 578.706 4.588 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102484537 554938000 /nfs/dbraw/zinc/93/80/00/554938000.db2.gz SCGAYXIVCDDQSU-MIOXIQPJSA-N 0 0 553.615 4.997 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102484546 554937990 /nfs/dbraw/zinc/93/79/90/554937990.db2.gz SCGAYXIVCDDQSU-WGGXKBPPSA-N 0 0 553.615 4.997 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102487516 554938511 /nfs/dbraw/zinc/93/85/11/554938511.db2.gz MSDXHSLNROPZIJ-WGGXKBPPSA-N 0 0 566.695 4.581 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102487526 554938445 /nfs/dbraw/zinc/93/84/45/554938445.db2.gz MSDXHSLNROPZIJ-MIOXIQPJSA-N 0 0 566.695 4.581 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102488381 554938840 /nfs/dbraw/zinc/93/88/40/554938840.db2.gz BPYCQVYUUVQHHO-MRJHHRETSA-N 0 0 506.580 4.962 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102488390 554938882 /nfs/dbraw/zinc/93/88/82/554938882.db2.gz BPYCQVYUUVQHHO-JBCNATCCSA-N 0 0 506.580 4.962 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000102488416 554938832 /nfs/dbraw/zinc/93/88/32/554938832.db2.gz KRVPCCJTDWIJOV-AHPONGEQSA-N 0 0 586.685 4.735 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000102488425 554938798 /nfs/dbraw/zinc/93/87/98/554938798.db2.gz KRVPCCJTDWIJOV-ZORLYMSLSA-N 0 0 586.685 4.735 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(CC)cc2)cc1C ZINC000102491672 554939445 /nfs/dbraw/zinc/93/94/45/554939445.db2.gz WWAJLZHYWZWQOW-TXTDGAROSA-N 0 0 520.670 4.880 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(CC)cc2)cc1C ZINC000102491677 554939325 /nfs/dbraw/zinc/93/93/25/554939325.db2.gz WWAJLZHYWZWQOW-DFXXOVSGSA-N 0 0 520.670 4.880 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102493460 554939607 /nfs/dbraw/zinc/93/96/07/554939607.db2.gz PPBOBRDKZMLARP-ZORLYMSLSA-N 0 0 616.711 4.744 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102493470 554939657 /nfs/dbraw/zinc/93/96/57/554939657.db2.gz PPBOBRDKZMLARP-AHPONGEQSA-N 0 0 616.711 4.744 50 30 KJEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102497164 554941020 /nfs/dbraw/zinc/94/10/20/554941020.db2.gz WVISHBGOPPUFPH-OXKHXNLSSA-N 0 0 548.680 4.723 50 30 KJEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102497172 554941088 /nfs/dbraw/zinc/94/10/88/554941088.db2.gz WVISHBGOPPUFPH-VVOYAKFZSA-N 0 0 548.680 4.723 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102502285 554943365 /nfs/dbraw/zinc/94/33/65/554943365.db2.gz KCBWTDVELAWQQX-TXTDGAROSA-N 0 0 528.605 4.550 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102502294 554943410 /nfs/dbraw/zinc/94/34/10/554943410.db2.gz KCBWTDVELAWQQX-DFXXOVSGSA-N 0 0 528.605 4.550 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102502770 554943697 /nfs/dbraw/zinc/94/36/97/554943697.db2.gz WCUBYZJQDKAULV-MIOXIQPJSA-N 0 0 566.695 4.725 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102502776 554943683 /nfs/dbraw/zinc/94/36/83/554943683.db2.gz WCUBYZJQDKAULV-WGGXKBPPSA-N 0 0 566.695 4.725 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102505845 554944637 /nfs/dbraw/zinc/94/46/37/554944637.db2.gz BRKAGFMCNCWJPJ-CZNAVJSXSA-N 0 0 532.593 4.825 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102505854 554944631 /nfs/dbraw/zinc/94/46/31/554944631.db2.gz BRKAGFMCNCWJPJ-CJJGVWJISA-N 0 0 532.593 4.825 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102506424 554944527 /nfs/dbraw/zinc/94/45/27/554944527.db2.gz OLQXCWDRSFYSPR-MIOXIQPJSA-N 0 0 544.623 4.857 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102506432 554944603 /nfs/dbraw/zinc/94/46/03/554944603.db2.gz OLQXCWDRSFYSPR-WGGXKBPPSA-N 0 0 544.623 4.857 50 30 KJEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102506738 554944860 /nfs/dbraw/zinc/94/48/60/554944860.db2.gz LRNKEUSNPMOVOF-UVDRRRQGSA-N 0 0 501.583 4.733 50 30 KJEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102506746 554944862 /nfs/dbraw/zinc/94/48/62/554944862.db2.gz LRNKEUSNPMOVOF-ZZIWUOEGSA-N 0 0 501.583 4.733 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000102507116 554944980 /nfs/dbraw/zinc/94/49/80/554944980.db2.gz IBVYLSMGBDWCFG-AYWGPLOBSA-N 0 0 506.942 4.542 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000102507126 554944837 /nfs/dbraw/zinc/94/48/37/554944837.db2.gz IBVYLSMGBDWCFG-ZHHPLPSFSA-N 0 0 506.942 4.542 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102509315 554945651 /nfs/dbraw/zinc/94/56/51/554945651.db2.gz AEYWMXMQOACDFC-SBXHHDGASA-N 0 0 509.990 4.846 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102509325 554945627 /nfs/dbraw/zinc/94/56/27/554945627.db2.gz AEYWMXMQOACDFC-NXLSWJSLSA-N 0 0 509.990 4.846 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102509913 554946039 /nfs/dbraw/zinc/94/60/39/554946039.db2.gz DEEFNOHNHGYVRA-ONQGDUAMSA-N 0 0 517.578 4.659 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102509920 554945985 /nfs/dbraw/zinc/94/59/85/554945985.db2.gz DEEFNOHNHGYVRA-UUALVTFQSA-N 0 0 517.578 4.659 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000102510063 554946065 /nfs/dbraw/zinc/94/60/65/554946065.db2.gz GIUUQFPHAAKALR-ZHHPLPSFSA-N 0 0 515.448 5.000 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000102510072 554946017 /nfs/dbraw/zinc/94/60/17/554946017.db2.gz GIUUQFPHAAKALR-AYWGPLOBSA-N 0 0 515.448 5.000 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102510760 554946192 /nfs/dbraw/zinc/94/61/92/554946192.db2.gz MCZNVKKAQJDUOM-JBCNATCCSA-N 0 0 522.579 4.580 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102510770 554946324 /nfs/dbraw/zinc/94/63/24/554946324.db2.gz MCZNVKKAQJDUOM-MRJHHRETSA-N 0 0 522.579 4.580 50 30 KJEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102510793 554946264 /nfs/dbraw/zinc/94/62/64/554946264.db2.gz LEKRUPLBMKGMFB-YDJIHCHBSA-N 0 0 500.780 4.811 50 30 KJEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102510804 554946242 /nfs/dbraw/zinc/94/62/42/554946242.db2.gz LEKRUPLBMKGMFB-NHFXJNLRSA-N 0 0 500.780 4.811 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000102511504 554946174 /nfs/dbraw/zinc/94/61/74/554946174.db2.gz FTIRFAVJGHHGEI-AMKIGSDESA-N 0 0 515.562 4.658 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000102511511 554946437 /nfs/dbraw/zinc/94/64/37/554946437.db2.gz FTIRFAVJGHHGEI-XVTRYDTASA-N 0 0 515.562 4.658 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102511537 554946476 /nfs/dbraw/zinc/94/64/76/554946476.db2.gz ZPYVNLCWFVZREX-NXLSWJSLSA-N 0 0 532.574 4.957 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102511546 554946587 /nfs/dbraw/zinc/94/65/87/554946587.db2.gz ZPYVNLCWFVZREX-SBXHHDGASA-N 0 0 532.574 4.957 50 30 KJEARN COc1cccc(CN2C(=O)[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)c1OC ZINC000102512280 554946750 /nfs/dbraw/zinc/94/67/50/554946750.db2.gz FXALZXCVTNULGC-WJOKGBTCSA-N 0 0 628.600 4.960 50 30 KJEARN COc1cccc(CN2C(=O)[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)c1OC ZINC000102512284 554946770 /nfs/dbraw/zinc/94/67/70/554946770.db2.gz FXALZXCVTNULGC-HKBQPEDESA-N 0 0 628.600 4.960 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(O)c2)cc1 ZINC000102515118 554947603 /nfs/dbraw/zinc/94/76/03/554947603.db2.gz RAWDOPNKBRFZAD-TXTDGAROSA-N 0 0 523.589 4.988 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102515125 554947611 /nfs/dbraw/zinc/94/76/11/554947611.db2.gz RAWDOPNKBRFZAD-DFXXOVSGSA-N 0 0 523.589 4.988 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000102516034 554947959 /nfs/dbraw/zinc/94/79/59/554947959.db2.gz QHHQLHOEFCTPHL-NHFXJNLRSA-N 0 0 540.241 4.510 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000102516042 554947923 /nfs/dbraw/zinc/94/79/23/554947923.db2.gz QHHQLHOEFCTPHL-YDJIHCHBSA-N 0 0 540.241 4.510 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102516576 554948236 /nfs/dbraw/zinc/94/82/36/554948236.db2.gz XLSHAFTXDXQHKH-TXTDGAROSA-N 0 0 528.605 4.550 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102516583 554948249 /nfs/dbraw/zinc/94/82/49/554948249.db2.gz XLSHAFTXDXQHKH-DFXXOVSGSA-N 0 0 528.605 4.550 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000102516951 554948223 /nfs/dbraw/zinc/94/82/23/554948223.db2.gz GBGUHVTZMQIBIE-JBCNATCCSA-N 0 0 506.580 4.880 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102516959 554948240 /nfs/dbraw/zinc/94/82/40/554948240.db2.gz GBGUHVTZMQIBIE-MRJHHRETSA-N 0 0 506.580 4.880 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102517328 554948448 /nfs/dbraw/zinc/94/84/48/554948448.db2.gz WZVNPLFCSIYRTR-CZNAVJSXSA-N 0 0 502.567 4.816 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102517338 554948476 /nfs/dbraw/zinc/94/84/76/554948476.db2.gz WZVNPLFCSIYRTR-CJJGVWJISA-N 0 0 502.567 4.816 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000102517744 554948738 /nfs/dbraw/zinc/94/87/38/554948738.db2.gz QXMZGUHXPYQOFR-FZIYRNTBSA-N 0 0 529.589 4.700 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000102517752 554948741 /nfs/dbraw/zinc/94/87/41/554948741.db2.gz QXMZGUHXPYQOFR-JVJOXMINSA-N 0 0 529.589 4.700 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102521307 554949571 /nfs/dbraw/zinc/94/95/71/554949571.db2.gz GFTZOLSMSKPKOZ-CZNAVJSXSA-N 0 0 516.550 4.940 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102521316 554949661 /nfs/dbraw/zinc/94/96/61/554949661.db2.gz GFTZOLSMSKPKOZ-CJJGVWJISA-N 0 0 516.550 4.940 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102524372 554951196 /nfs/dbraw/zinc/95/11/96/554951196.db2.gz XEPCQDLOWQXFNG-JBCNATCCSA-N 0 0 506.580 4.962 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102524381 554951120 /nfs/dbraw/zinc/95/11/20/554951120.db2.gz XEPCQDLOWQXFNG-MRJHHRETSA-N 0 0 506.580 4.962 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102524912 554951613 /nfs/dbraw/zinc/95/16/13/554951613.db2.gz BOEXREWSYQOUDV-AHPONGEQSA-N 0 0 586.685 4.822 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102524919 554951567 /nfs/dbraw/zinc/95/15/67/554951567.db2.gz BOEXREWSYQOUDV-ZORLYMSLSA-N 0 0 586.685 4.822 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102525445 554951960 /nfs/dbraw/zinc/95/19/60/554951960.db2.gz FRRGCENNCQAQRK-SBXHHDGASA-N 0 0 509.990 4.846 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102525452 554951849 /nfs/dbraw/zinc/95/18/49/554951849.db2.gz FRRGCENNCQAQRK-NXLSWJSLSA-N 0 0 509.990 4.846 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102525965 554951902 /nfs/dbraw/zinc/95/19/02/554951902.db2.gz YDGIBFIRDKZEGB-AHPONGEQSA-N 0 0 586.685 4.822 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102525971 554951907 /nfs/dbraw/zinc/95/19/07/554951907.db2.gz YDGIBFIRDKZEGB-ZORLYMSLSA-N 0 0 586.685 4.822 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000102526944 554952107 /nfs/dbraw/zinc/95/21/07/554952107.db2.gz SVTURORWDXSSSB-MRJHHRETSA-N 0 0 509.817 4.791 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000102526953 554952156 /nfs/dbraw/zinc/95/21/56/554952156.db2.gz SVTURORWDXSSSB-JBCNATCCSA-N 0 0 509.817 4.791 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102527022 554952514 /nfs/dbraw/zinc/95/25/14/554952514.db2.gz LOXHDCRLGKEFRN-QOISPNJLSA-N 0 0 578.706 4.732 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102527028 554952474 /nfs/dbraw/zinc/95/24/74/554952474.db2.gz LOXHDCRLGKEFRN-FCLPXNLHSA-N 0 0 578.706 4.732 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102528270 554953067 /nfs/dbraw/zinc/95/30/67/554953067.db2.gz QWYGMYQBZZSKME-CZNAVJSXSA-N 0 0 506.643 4.527 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102528279 554953116 /nfs/dbraw/zinc/95/31/16/554953116.db2.gz QWYGMYQBZZSKME-CJJGVWJISA-N 0 0 506.643 4.527 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OC)nc1C ZINC000102532651 554954433 /nfs/dbraw/zinc/95/44/33/554954433.db2.gz DJHZQUHNFXQNFB-JBCNATCCSA-N 0 0 522.579 4.580 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OC)nc1C ZINC000102532656 554954390 /nfs/dbraw/zinc/95/43/90/554954390.db2.gz DJHZQUHNFXQNFB-MRJHHRETSA-N 0 0 522.579 4.580 50 30 KJEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102535369 554955316 /nfs/dbraw/zinc/95/53/16/554955316.db2.gz UAKWUTWHUAECJS-TXTDGAROSA-N 0 0 542.680 4.622 50 30 KJEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102535379 554955338 /nfs/dbraw/zinc/95/53/38/554955338.db2.gz UAKWUTWHUAECJS-DFXXOVSGSA-N 0 0 542.680 4.622 50 30 KJEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000102537224 554956244 /nfs/dbraw/zinc/95/62/44/554956244.db2.gz HSEIMWYKQVKJSJ-WJOKGBTCSA-N 0 0 612.601 4.994 50 30 KJEARN COc1ccc(CCN2C(=O)[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000102537228 554956301 /nfs/dbraw/zinc/95/63/01/554956301.db2.gz HSEIMWYKQVKJSJ-HKBQPEDESA-N 0 0 612.601 4.994 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102538103 554956285 /nfs/dbraw/zinc/95/62/85/554956285.db2.gz LHFCTFNMPQWIQE-NPJIAGGLSA-N 0 0 513.034 4.616 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000102538706 554956486 /nfs/dbraw/zinc/95/64/86/554956486.db2.gz WTGWVHUXMNOMOE-LHRXRZTBSA-N 0 0 540.366 4.702 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000102538713 554956469 /nfs/dbraw/zinc/95/64/69/554956469.db2.gz WTGWVHUXMNOMOE-YFFBQLFZSA-N 0 0 540.366 4.702 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000102538836 554956509 /nfs/dbraw/zinc/95/65/09/554956509.db2.gz BMONRLAJHNMKOS-ONQGDUAMSA-N 0 0 532.662 4.780 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)ccc1OCc1ccccc1 ZINC000102538842 554956564 /nfs/dbraw/zinc/95/65/64/554956564.db2.gz BMONRLAJHNMKOS-UUALVTFQSA-N 0 0 532.662 4.780 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000102540387 554957418 /nfs/dbraw/zinc/95/74/18/554957418.db2.gz CXSDOUMJWKOLHP-MOBKVPTQSA-N 0 0 501.421 4.610 50 30 KJEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102540397 554957361 /nfs/dbraw/zinc/95/73/61/554957361.db2.gz CXSDOUMJWKOLHP-HOGKFDNTSA-N 0 0 501.421 4.610 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000102540609 554957353 /nfs/dbraw/zinc/95/73/53/554957353.db2.gz RFPCUFHFQCQRKT-SBXHHDGASA-N 0 0 501.023 4.901 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000102540618 554957408 /nfs/dbraw/zinc/95/74/08/554957408.db2.gz RFPCUFHFQCQRKT-NXLSWJSLSA-N 0 0 501.023 4.901 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102544123 554958487 /nfs/dbraw/zinc/95/84/87/554958487.db2.gz XJDCUOAOBXDZRH-ZHHPLPSFSA-N 0 0 524.415 4.946 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102544131 554958421 /nfs/dbraw/zinc/95/84/21/554958421.db2.gz XJDCUOAOBXDZRH-AYWGPLOBSA-N 0 0 524.415 4.946 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102547371 554959908 /nfs/dbraw/zinc/95/99/08/554959908.db2.gz OHDQEVVFYSHSMJ-CZNAVJSXSA-N 0 0 502.567 4.900 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000102547377 554959937 /nfs/dbraw/zinc/95/99/37/554959937.db2.gz OHDQEVVFYSHSMJ-CJJGVWJISA-N 0 0 502.567 4.900 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102548335 554960228 /nfs/dbraw/zinc/96/02/28/554960228.db2.gz RHQIXUSJAMVBKZ-HPASZNQBSA-N 0 0 551.393 4.504 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102548342 554960275 /nfs/dbraw/zinc/96/02/75/554960275.db2.gz RHQIXUSJAMVBKZ-CSVYKXDMSA-N 0 0 551.393 4.504 50 30 KJEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102549168 554960807 /nfs/dbraw/zinc/96/08/07/554960807.db2.gz ZGNLOWYYCFFFFQ-TXTDGAROSA-N 0 0 530.621 4.619 50 30 KJEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102549177 554960844 /nfs/dbraw/zinc/96/08/44/554960844.db2.gz ZGNLOWYYCFFFFQ-DFXXOVSGSA-N 0 0 530.621 4.619 50 30 KJEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102549612 554961075 /nfs/dbraw/zinc/96/10/75/554961075.db2.gz RSJCONJNCJYWBW-JVZIKCOHSA-N 0 0 534.590 4.587 50 30 KJEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102549618 554961043 /nfs/dbraw/zinc/96/10/43/554961043.db2.gz RSJCONJNCJYWBW-CTVAMRBASA-N 0 0 534.590 4.587 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102550904 554961755 /nfs/dbraw/zinc/96/17/55/554961755.db2.gz KFAKDBOVAUYAJF-QMMFTLRZSA-N 0 0 556.659 4.727 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102550914 554961638 /nfs/dbraw/zinc/96/16/38/554961638.db2.gz KFAKDBOVAUYAJF-VEZPTTSMSA-N 0 0 556.659 4.727 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102550987 554961648 /nfs/dbraw/zinc/96/16/48/554961648.db2.gz UJHBQCPENSOQBY-CJJGVWJISA-N 0 0 502.567 4.843 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102551000 554961710 /nfs/dbraw/zinc/96/17/10/554961710.db2.gz UJHBQCPENSOQBY-CZNAVJSXSA-N 0 0 502.567 4.843 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102551584 554962219 /nfs/dbraw/zinc/96/22/19/554962219.db2.gz ZARMETZRFJQCQZ-VEZPTTSMSA-N 0 0 594.705 4.570 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102551591 554962269 /nfs/dbraw/zinc/96/22/69/554962269.db2.gz ZARMETZRFJQCQZ-QMMFTLRZSA-N 0 0 594.705 4.570 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102553990 554963386 /nfs/dbraw/zinc/96/33/86/554963386.db2.gz IRUZXMBPBXMCLS-MIOXIQPJSA-N 0 0 553.615 4.997 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102553999 554963482 /nfs/dbraw/zinc/96/34/82/554963482.db2.gz IRUZXMBPBXMCLS-WGGXKBPPSA-N 0 0 553.615 4.997 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000102555209 554964000 /nfs/dbraw/zinc/96/40/00/554964000.db2.gz METJRGCBJMUFAP-RCQUUQHHSA-N 0 0 500.595 4.991 50 30 KJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000102555214 554963981 /nfs/dbraw/zinc/96/39/81/554963981.db2.gz METJRGCBJMUFAP-FSJAGCDVSA-N 0 0 500.595 4.991 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000102556332 554964752 /nfs/dbraw/zinc/96/47/52/554964752.db2.gz ISMKJJHVTORTJI-UUALVTFQSA-N 0 0 539.625 4.740 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000102556339 554964676 /nfs/dbraw/zinc/96/46/76/554964676.db2.gz ISMKJJHVTORTJI-ONQGDUAMSA-N 0 0 539.625 4.740 50 30 KJEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(OC)c(OC)cc1Br ZINC000102556602 554964949 /nfs/dbraw/zinc/96/49/49/554964949.db2.gz RQRSEQSVLVMJDF-APKAMQJDSA-N 0 0 501.377 4.697 50 30 KJEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(OC)c(OC)cc1Br ZINC000102556608 554964921 /nfs/dbraw/zinc/96/49/21/554964921.db2.gz RQRSEQSVLVMJDF-UOCGYEETSA-N 0 0 501.377 4.697 50 30 KJEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000102557723 554965522 /nfs/dbraw/zinc/96/55/22/554965522.db2.gz XTLAAAIRTRCNKA-DRAMBROLSA-N 0 0 501.377 4.697 50 30 KJEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000102557731 554965535 /nfs/dbraw/zinc/96/55/35/554965535.db2.gz XTLAAAIRTRCNKA-SIJSFFJVSA-N 0 0 501.377 4.697 50 30 KJEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102559495 554966931 /nfs/dbraw/zinc/96/69/31/554966931.db2.gz WNKVPIICCWHWSL-CJJGVWJISA-N 0 0 500.551 4.654 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102559505 554966900 /nfs/dbraw/zinc/96/69/00/554966900.db2.gz WNKVPIICCWHWSL-CZNAVJSXSA-N 0 0 500.551 4.654 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc(Br)c1OC ZINC000102560095 554967617 /nfs/dbraw/zinc/96/76/17/554967617.db2.gz BTFJKAMLACKNDK-JEWAVWJGSA-N 0 0 596.540 4.766 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000102560939 554967932 /nfs/dbraw/zinc/96/79/32/554967932.db2.gz VFDIVLNKVRBDIP-ZHHPLPSFSA-N 0 0 552.377 4.556 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000102560947 554967863 /nfs/dbraw/zinc/96/78/63/554967863.db2.gz VFDIVLNKVRBDIP-AYWGPLOBSA-N 0 0 552.377 4.556 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102562091 554968684 /nfs/dbraw/zinc/96/86/84/554968684.db2.gz JQPAXAXISHMXGP-YREDKMEYSA-N 0 0 545.636 4.906 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102562100 554968690 /nfs/dbraw/zinc/96/86/90/554968690.db2.gz JQPAXAXISHMXGP-YFVVEFNMSA-N 0 0 545.636 4.906 50 30 KJEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102563364 554968807 /nfs/dbraw/zinc/96/88/07/554968807.db2.gz WLTDYWLFXFAPIV-SBXHHDGASA-N 0 0 530.558 4.798 50 30 KJEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102563371 554968916 /nfs/dbraw/zinc/96/89/16/554968916.db2.gz WLTDYWLFXFAPIV-NXLSWJSLSA-N 0 0 530.558 4.798 50 30 KJEARN Cc1ccc(C)c(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)c1 ZINC000102563665 554969105 /nfs/dbraw/zinc/96/91/05/554969105.db2.gz CDDSHDXXRJCFFG-LYULNAIRSA-N 0 0 562.607 4.826 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102564445 554969437 /nfs/dbraw/zinc/96/94/37/554969437.db2.gz AUFJWJQMANGWKS-NKHPTUSLSA-N 0 0 501.583 4.507 50 30 KJEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102564450 554969528 /nfs/dbraw/zinc/96/95/28/554969528.db2.gz AUFJWJQMANGWKS-ONLXDWTESA-N 0 0 501.583 4.507 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102564498 554969559 /nfs/dbraw/zinc/96/95/59/554969559.db2.gz IDXPWGSYMZHZIJ-UUALVTFQSA-N 0 0 530.577 4.662 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102564507 554969419 /nfs/dbraw/zinc/96/94/19/554969419.db2.gz IDXPWGSYMZHZIJ-ONQGDUAMSA-N 0 0 530.577 4.662 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102567879 554970133 /nfs/dbraw/zinc/97/01/33/554970133.db2.gz VGLYLYZIPZLGSA-UUALVTFQSA-N 0 0 530.577 4.662 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102567885 554970116 /nfs/dbraw/zinc/97/01/16/554970116.db2.gz VGLYLYZIPZLGSA-ONQGDUAMSA-N 0 0 530.577 4.662 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102569841 554970311 /nfs/dbraw/zinc/97/03/11/554970311.db2.gz LPEFLPRINMICQQ-WGGXKBPPSA-N 0 0 551.599 4.745 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102569850 554970247 /nfs/dbraw/zinc/97/02/47/554970247.db2.gz LPEFLPRINMICQQ-MIOXIQPJSA-N 0 0 551.599 4.745 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000102570320 554970338 /nfs/dbraw/zinc/97/03/38/554970338.db2.gz VUDSEYZKFVVDLT-SBXHHDGASA-N 0 0 506.942 4.942 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000102570326 554970327 /nfs/dbraw/zinc/97/03/27/554970327.db2.gz VUDSEYZKFVVDLT-NXLSWJSLSA-N 0 0 506.942 4.942 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102571307 554970590 /nfs/dbraw/zinc/97/05/90/554970590.db2.gz WWUYWGJGRLCEFT-CZNAVJSXSA-N 0 0 502.567 4.900 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102571315 554970598 /nfs/dbraw/zinc/97/05/98/554970598.db2.gz WWUYWGJGRLCEFT-CJJGVWJISA-N 0 0 502.567 4.900 50 30 KJEARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000102572831 554971033 /nfs/dbraw/zinc/97/10/33/554971033.db2.gz DRQYPBZRMKOYDZ-WSLJYYCZSA-N 0 0 509.747 4.876 50 30 KJEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1OC ZINC000102582187 554972822 /nfs/dbraw/zinc/97/28/22/554972822.db2.gz PCCFNUFUCKCXLN-IUKMQXEJSA-N 0 0 502.567 4.756 50 30 KJEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1OC ZINC000102582192 554972715 /nfs/dbraw/zinc/97/27/15/554972715.db2.gz PCCFNUFUCKCXLN-NPJIAGGLSA-N 0 0 502.567 4.756 50 30 KJEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102584247 554972994 /nfs/dbraw/zinc/97/29/94/554972994.db2.gz UFBNSJCTSANHRH-RUZDIDTESA-N 0 0 542.698 4.629 50 30 KJEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102584249 554973001 /nfs/dbraw/zinc/97/30/01/554973001.db2.gz UFBNSJCTSANHRH-VWLOTQADSA-N 0 0 542.698 4.629 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102584774 554973050 /nfs/dbraw/zinc/97/30/50/554973050.db2.gz IZCCMLPLOAGQCG-FSISNWKMSA-N 0 0 514.559 4.960 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102584781 554973066 /nfs/dbraw/zinc/97/30/66/554973066.db2.gz IZCCMLPLOAGQCG-GMBUILNLSA-N 0 0 514.559 4.960 50 30 KJEARN C[N+](C)(C)CCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102586139 554973276 /nfs/dbraw/zinc/97/32/76/554973276.db2.gz NHLCWMDAHLWTIP-UHFFFAOYSA-O 0 0 529.720 4.842 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102605750 554978461 /nfs/dbraw/zinc/97/84/61/554978461.db2.gz MQJRTZFWXIPYCS-HPASZNQBSA-N 0 0 551.393 4.504 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102605755 554978441 /nfs/dbraw/zinc/97/84/41/554978441.db2.gz MQJRTZFWXIPYCS-CSVYKXDMSA-N 0 0 551.393 4.504 50 30 KJEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102607054 554979854 /nfs/dbraw/zinc/97/98/54/554979854.db2.gz MSDUHSZTUJHKFG-CJJGVWJISA-N 0 0 500.551 4.654 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102607058 554979890 /nfs/dbraw/zinc/97/98/90/554979890.db2.gz MSDUHSZTUJHKFG-CZNAVJSXSA-N 0 0 500.551 4.654 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000102607884 554979830 /nfs/dbraw/zinc/97/98/30/554979830.db2.gz AWARZVGHNKDYIE-YREDKMEYSA-N 0 0 536.669 4.817 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000102607890 554979789 /nfs/dbraw/zinc/97/97/89/554979789.db2.gz AWARZVGHNKDYIE-YFVVEFNMSA-N 0 0 536.669 4.817 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102609602 554980851 /nfs/dbraw/zinc/98/08/51/554980851.db2.gz YTJMVMHTMNMZCU-YDJIHCHBSA-N 0 0 536.264 4.975 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102609606 554980750 /nfs/dbraw/zinc/98/07/50/554980750.db2.gz YTJMVMHTMNMZCU-NHFXJNLRSA-N 0 0 536.264 4.975 50 30 KJEARN C[C@@H]1C[C@H](C)CN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000102611581 554981421 /nfs/dbraw/zinc/98/14/21/554981421.db2.gz MUYFYYGMISTNCT-RVSDAQEESA-N 0 0 503.418 4.680 50 30 KJEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611896 554981706 /nfs/dbraw/zinc/98/17/06/554981706.db2.gz ZXOWCFFUHCGIIA-RUZDIDTESA-N 0 0 544.048 4.624 50 30 KJEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611898 554981740 /nfs/dbraw/zinc/98/17/40/554981740.db2.gz ZXOWCFFUHCGIIA-VWLOTQADSA-N 0 0 544.048 4.624 50 30 KJEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612200 554982065 /nfs/dbraw/zinc/98/20/65/554982065.db2.gz SKYRHXILNHGKJU-AREMUKBSSA-N 0 0 559.610 4.850 50 30 KJEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612205 554982053 /nfs/dbraw/zinc/98/20/53/554982053.db2.gz SKYRHXILNHGKJU-SANMLTNESA-N 0 0 559.610 4.850 50 30 KJEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612335 554982041 /nfs/dbraw/zinc/98/20/41/554982041.db2.gz JSRNQLVVCSGCJN-HSZRJFAPSA-N 0 0 532.087 4.546 50 30 KJEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612339 554981999 /nfs/dbraw/zinc/98/19/99/554981999.db2.gz JSRNQLVVCSGCJN-QHCPKHFHSA-N 0 0 532.087 4.546 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102612374 554982058 /nfs/dbraw/zinc/98/20/58/554982058.db2.gz ZVQYVWQCLYUPSA-SBXHHDGASA-N 0 0 530.558 4.711 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102612382 554982070 /nfs/dbraw/zinc/98/20/70/554982070.db2.gz ZVQYVWQCLYUPSA-NXLSWJSLSA-N 0 0 530.558 4.711 50 30 KJEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612406 554982081 /nfs/dbraw/zinc/98/20/81/554982081.db2.gz UULAFOYHUXSITP-HHHXNRCGSA-N 0 0 559.610 4.850 50 30 KJEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612410 554982011 /nfs/dbraw/zinc/98/20/11/554982011.db2.gz UULAFOYHUXSITP-MHZLTWQESA-N 0 0 559.610 4.850 50 30 KJEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612650 554982031 /nfs/dbraw/zinc/98/20/31/554982031.db2.gz LRZDYGHAQCGZKC-HHHXNRCGSA-N 0 0 544.048 4.624 50 30 KJEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102612654 554981966 /nfs/dbraw/zinc/98/19/66/554981966.db2.gz LRZDYGHAQCGZKC-MHZLTWQESA-N 0 0 544.048 4.624 50 30 KJEARN C=CCNC(=S)N/N=C/c1ccc(O[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c(OC)c1 ZINC000102617621 554985055 /nfs/dbraw/zinc/98/50/55/554985055.db2.gz GDEKSUCQVFDSQK-IPWRAFNYSA-N 0 0 550.295 4.838 50 30 KJEARN C=CCNC(=S)N/N=C/c1ccc(O[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c(OC)c1 ZINC000102617627 554985048 /nfs/dbraw/zinc/98/50/48/554985048.db2.gz GDEKSUCQVFDSQK-SDHJZUEUSA-N 0 0 550.295 4.838 50 30 KJEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@@H](c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)O2)c1C#N ZINC000102618460 554985522 /nfs/dbraw/zinc/98/55/22/554985522.db2.gz CTUCREKNBUCDOJ-RUZDIDTESA-N 0 0 584.383 4.917 50 30 KJEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@H](c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)O2)c1C#N ZINC000102618464 554985545 /nfs/dbraw/zinc/98/55/45/554985545.db2.gz CTUCREKNBUCDOJ-VWLOTQADSA-N 0 0 584.383 4.917 50 30 KJEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@H](c3c(OC)ccc4ccccc43)O2)c1C#N ZINC000102618467 554985558 /nfs/dbraw/zinc/98/55/58/554985558.db2.gz MUUKTCPLCOJLFQ-VWLOTQADSA-N 0 0 539.386 4.602 50 30 KJEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@@H](c3c(OC)ccc4ccccc43)O2)c1C#N ZINC000102618471 554985473 /nfs/dbraw/zinc/98/54/73/554985473.db2.gz MUUKTCPLCOJLFQ-RUZDIDTESA-N 0 0 539.386 4.602 50 30 KJEARN COCc1c(Br)c(C)nc(OC[C@H]2OC(c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)=NN2C(C)=O)c1C#N ZINC000102619276 554985827 /nfs/dbraw/zinc/98/58/27/554985827.db2.gz XUUDZVOFNDLCPK-XMMPIXPASA-N 0 0 610.421 4.603 50 30 KJEARN COCc1c(Br)c(C)nc(OC[C@@H]2OC(c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)=NN2C(C)=O)c1C#N ZINC000102619280 554985739 /nfs/dbraw/zinc/98/57/39/554985739.db2.gz XUUDZVOFNDLCPK-DEOSSOPVSA-N 0 0 610.421 4.603 50 30 KJEARN COCc1c(Br)c(C)nc(OC[C@H]2OC(c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)=NN2C(C)=O)c1C#N ZINC000102619285 554985801 /nfs/dbraw/zinc/98/58/01/554985801.db2.gz ATZBINTVPYAOKS-XMMPIXPASA-N 0 0 610.421 4.603 50 30 KJEARN COCc1c(Br)c(C)nc(OC[C@@H]2OC(c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)=NN2C(C)=O)c1C#N ZINC000102619288 554985757 /nfs/dbraw/zinc/98/57/57/554985757.db2.gz ATZBINTVPYAOKS-DEOSSOPVSA-N 0 0 610.421 4.603 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102628171 554988532 /nfs/dbraw/zinc/98/85/32/554988532.db2.gz DASLQKPTAPYKNC-NPJIAGGLSA-N 0 0 560.584 4.807 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102628179 554988544 /nfs/dbraw/zinc/98/85/44/554988544.db2.gz DASLQKPTAPYKNC-IUKMQXEJSA-N 0 0 560.584 4.807 50 30 KJEARN O=[N+]([O-])C(C=Nc1ccc(I)cc1)=CNc1ccc(I)cc1 ZINC000102634022 554990224 /nfs/dbraw/zinc/99/02/24/554990224.db2.gz SMQNVFAGUHXWPC-MPGSNBGNSA-N 0 0 519.080 4.828 50 30 KJEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102642838 554990989 /nfs/dbraw/zinc/99/09/89/554990989.db2.gz WVISHBGOPPUFPH-HXUDZCJASA-N 0 0 548.680 4.723 50 30 KJEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102642839 554991033 /nfs/dbraw/zinc/99/10/33/554991033.db2.gz WVISHBGOPPUFPH-XIFSCCLJSA-N 0 0 548.680 4.723 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000102645650 554992149 /nfs/dbraw/zinc/99/21/49/554992149.db2.gz FTIRFAVJGHHGEI-TVXPFAQOSA-N 0 0 515.562 4.658 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000102645652 554992204 /nfs/dbraw/zinc/99/22/04/554992204.db2.gz FTIRFAVJGHHGEI-WNQPQFFOSA-N 0 0 515.562 4.658 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000102646333 554992415 /nfs/dbraw/zinc/99/24/15/554992415.db2.gz QXMZGUHXPYQOFR-ROBPHKHBSA-N 0 0 529.589 4.700 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000102646335 554992405 /nfs/dbraw/zinc/99/24/05/554992405.db2.gz QXMZGUHXPYQOFR-NSOCNUKWSA-N 0 0 529.589 4.700 50 30 KJEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102647783 554993538 /nfs/dbraw/zinc/99/35/38/554993538.db2.gz ISIALMBAHPPYRC-OAQYLSRUSA-N 0 0 536.500 4.684 50 30 KJEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102647785 554993562 /nfs/dbraw/zinc/99/35/62/554993562.db2.gz ISIALMBAHPPYRC-NRFANRHFSA-N 0 0 536.500 4.684 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102648104 554993756 /nfs/dbraw/zinc/99/37/56/554993756.db2.gz LOXHDCRLGKEFRN-TVKWNQJWSA-N 0 0 578.706 4.732 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102648105 554993850 /nfs/dbraw/zinc/99/38/50/554993850.db2.gz LOXHDCRLGKEFRN-YELMDPSYSA-N 0 0 578.706 4.732 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000102649550 554995085 /nfs/dbraw/zinc/99/50/85/554995085.db2.gz WTGWVHUXMNOMOE-WKHTWXOLSA-N 0 0 540.366 4.702 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000102649552 554995161 /nfs/dbraw/zinc/99/51/61/554995161.db2.gz WTGWVHUXMNOMOE-JDDIYYEHSA-N 0 0 540.366 4.702 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102651626 554996241 /nfs/dbraw/zinc/99/62/41/554996241.db2.gz RHQIXUSJAMVBKZ-CHDCXXRXSA-N 0 0 551.393 4.504 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102651630 554996236 /nfs/dbraw/zinc/99/62/36/554996236.db2.gz RHQIXUSJAMVBKZ-DZSUXXLQSA-N 0 0 551.393 4.504 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102651716 554996155 /nfs/dbraw/zinc/99/61/55/554996155.db2.gz WVLMWDGPORKKOP-NPJIAGGLSA-N 0 0 560.584 4.720 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102651721 554996220 /nfs/dbraw/zinc/99/62/20/554996220.db2.gz WVLMWDGPORKKOP-IUKMQXEJSA-N 0 0 560.584 4.720 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000102652073 554996602 /nfs/dbraw/zinc/99/66/02/554996602.db2.gz TVUIKRWTXCMPJS-ZHHPLPSFSA-N 0 0 500.532 4.702 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000102652074 554996585 /nfs/dbraw/zinc/99/65/85/554996585.db2.gz TVUIKRWTXCMPJS-AYWGPLOBSA-N 0 0 500.532 4.702 50 30 KJEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652361 554996502 /nfs/dbraw/zinc/99/65/02/554996502.db2.gz RSJCONJNCJYWBW-PMLJWHLSSA-N 0 0 534.590 4.587 50 30 KJEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102652363 554996524 /nfs/dbraw/zinc/99/65/24/554996524.db2.gz RSJCONJNCJYWBW-SJKYFALESA-N 0 0 534.590 4.587 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102653713 554997469 /nfs/dbraw/zinc/99/74/69/554997469.db2.gz OAGHFCAUAFMJLQ-WGGXKBPPSA-N 0 0 575.662 4.990 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102653714 554997423 /nfs/dbraw/zinc/99/74/23/554997423.db2.gz OAGHFCAUAFMJLQ-MIOXIQPJSA-N 0 0 575.662 4.990 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102654065 554997660 /nfs/dbraw/zinc/99/76/60/554997660.db2.gz VIWHCYMLIIUGIP-UUALVTFQSA-N 0 0 531.609 4.735 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102654067 554997667 /nfs/dbraw/zinc/99/76/67/554997667.db2.gz VIWHCYMLIIUGIP-ONQGDUAMSA-N 0 0 531.609 4.735 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102655253 554998015 /nfs/dbraw/zinc/99/80/15/554998015.db2.gz JQPAXAXISHMXGP-FGEDTZIGSA-N 0 0 545.636 4.906 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102655256 554998079 /nfs/dbraw/zinc/99/80/79/554998079.db2.gz JQPAXAXISHMXGP-LODGOHBISA-N 0 0 545.636 4.906 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102655370 554998232 /nfs/dbraw/zinc/99/82/32/554998232.db2.gz AUFJWJQMANGWKS-HUPAGYGUSA-N 0 0 501.583 4.507 50 30 KJEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102655371 554998376 /nfs/dbraw/zinc/99/83/76/554998376.db2.gz AUFJWJQMANGWKS-KXCNXCNDSA-N 0 0 501.583 4.507 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102655795 554998772 /nfs/dbraw/zinc/99/87/72/554998772.db2.gz AFZZLUJKUDGPFR-DFXXOVSGSA-N 0 0 561.635 4.744 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102655797 554998639 /nfs/dbraw/zinc/99/86/39/554998639.db2.gz AFZZLUJKUDGPFR-TXTDGAROSA-N 0 0 561.635 4.744 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102656110 554999052 /nfs/dbraw/zinc/99/90/52/554999052.db2.gz POIHTNUVGJYGGH-DFXXOVSGSA-N 0 0 561.635 4.744 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102656112 554999038 /nfs/dbraw/zinc/99/90/38/554999038.db2.gz POIHTNUVGJYGGH-TXTDGAROSA-N 0 0 561.635 4.744 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102664070 555001172 /nfs/dbraw/zinc/00/11/72/555001172.db2.gz IZCCMLPLOAGQCG-WGQAXHKASA-N 0 0 514.559 4.960 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102664072 555001073 /nfs/dbraw/zinc/00/10/73/555001073.db2.gz IZCCMLPLOAGQCG-KNZGKXHUSA-N 0 0 514.559 4.960 50 30 KJEARN CCCCCOc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccccc3OC)n(-c3ccccc3)c2=O)cc1OC ZINC000102666765 555001697 /nfs/dbraw/zinc/00/16/97/555001697.db2.gz QHTZXRWTUZUMJS-OWLDCREYSA-N 0 0 569.683 4.627 50 30 KJEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C\c2ccc(OCc3ccccc3)c(OC)c2)c(=O)n1-c1ccccc1 ZINC000102666777 555001718 /nfs/dbraw/zinc/00/17/18/555001718.db2.gz WCYYZJPHXIYZBM-YODQGMGSSA-N 0 0 589.673 4.637 50 30 KJEARN N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102666921 555001669 /nfs/dbraw/zinc/00/16/69/555001669.db2.gz TYNMBPAIPAKAMV-ZDPHQKNBSA-N 0 0 562.434 4.878 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102667264 555001915 /nfs/dbraw/zinc/00/19/15/555001915.db2.gz RNBWMJSUMSEWHO-SBXHHDGASA-N 0 0 530.558 4.711 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102667267 555002011 /nfs/dbraw/zinc/00/20/11/555002011.db2.gz RNBWMJSUMSEWHO-NXLSWJSLSA-N 0 0 530.558 4.711 50 30 KJEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000102667595 555001978 /nfs/dbraw/zinc/00/19/78/555001978.db2.gz PDQYSWDMZITXED-WEKOCHBRSA-N 0 0 568.998 4.862 50 30 KJEARN CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2cccc(C)c2)n(-c2ccccc2)c1=O ZINC000102667673 555001903 /nfs/dbraw/zinc/00/19/03/555001903.db2.gz LRDKWUCOZDLGDE-QUTFRIDHSA-N 0 0 560.473 4.510 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102674340 555003483 /nfs/dbraw/zinc/00/34/83/555003483.db2.gz MQJRTZFWXIPYCS-CHDCXXRXSA-N 0 0 551.393 4.504 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102674341 555003548 /nfs/dbraw/zinc/00/35/48/555003548.db2.gz MQJRTZFWXIPYCS-DZSUXXLQSA-N 0 0 551.393 4.504 50 30 KJEARN COc1ccc(/C(=N/OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000102676799 555004164 /nfs/dbraw/zinc/00/41/64/555004164.db2.gz KAEANWWHWVCHAZ-GNVQSUKOSA-N 0 0 562.491 4.695 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102693055 555008893 /nfs/dbraw/zinc/00/88/93/555008893.db2.gz WSXYNKPZGVRMQC-ONQGDUAMSA-N 0 0 547.604 4.668 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102693064 555008917 /nfs/dbraw/zinc/00/89/17/555008917.db2.gz WSXYNKPZGVRMQC-UUALVTFQSA-N 0 0 547.604 4.668 50 30 KJEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000102694867 555010075 /nfs/dbraw/zinc/01/00/75/555010075.db2.gz WOMSZRDLVHQVBU-ZHHPLPSFSA-N 0 0 502.548 4.954 50 30 KJEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000102694870 555010019 /nfs/dbraw/zinc/01/00/19/555010019.db2.gz WOMSZRDLVHQVBU-AYWGPLOBSA-N 0 0 502.548 4.954 50 30 KJEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102695989 555011146 /nfs/dbraw/zinc/01/11/46/555011146.db2.gz UXDRUKKBTZXSOW-JBCNATCCSA-N 0 0 506.580 4.996 50 30 KJEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102695993 555011053 /nfs/dbraw/zinc/01/10/53/555011053.db2.gz UXDRUKKBTZXSOW-MRJHHRETSA-N 0 0 506.580 4.996 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102701945 555013093 /nfs/dbraw/zinc/01/30/93/555013093.db2.gz MSOFVFDWLOPAQX-IUKMQXEJSA-N 0 0 502.523 4.550 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102701954 555013217 /nfs/dbraw/zinc/01/32/17/555013217.db2.gz MSOFVFDWLOPAQX-NPJIAGGLSA-N 0 0 502.523 4.550 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102703188 555013370 /nfs/dbraw/zinc/01/33/70/555013370.db2.gz APSDIAJRADPMOO-TXTDGAROSA-N 0 0 547.051 4.981 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102703191 555013356 /nfs/dbraw/zinc/01/33/56/555013356.db2.gz APSDIAJRADPMOO-DFXXOVSGSA-N 0 0 547.051 4.981 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102705224 555014309 /nfs/dbraw/zinc/01/43/09/555014309.db2.gz ADDXCTMBNOOKER-ONQGDUAMSA-N 0 0 517.578 4.746 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102705228 555014382 /nfs/dbraw/zinc/01/43/82/555014382.db2.gz ADDXCTMBNOOKER-UUALVTFQSA-N 0 0 517.578 4.746 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)ccc1O ZINC000102706056 555014532 /nfs/dbraw/zinc/01/45/32/555014532.db2.gz OBXBVTIQZMKUAQ-UUALVTFQSA-N 0 0 517.578 4.746 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)ccc1O ZINC000102706059 555014659 /nfs/dbraw/zinc/01/46/59/555014659.db2.gz OBXBVTIQZMKUAQ-ONQGDUAMSA-N 0 0 517.578 4.746 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccnc3)cc2)c1 ZINC000102706243 555014774 /nfs/dbraw/zinc/01/47/74/555014774.db2.gz WOUYSXRRCLONES-ONQGDUAMSA-N 0 0 508.578 4.678 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102706245 555014786 /nfs/dbraw/zinc/01/47/86/555014786.db2.gz WOUYSXRRCLONES-UUALVTFQSA-N 0 0 508.578 4.678 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102706357 555014801 /nfs/dbraw/zinc/01/48/01/555014801.db2.gz YQMWBEIOSRMEQR-CZNAVJSXSA-N 0 0 516.550 4.940 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102706365 555014803 /nfs/dbraw/zinc/01/48/03/555014803.db2.gz YQMWBEIOSRMEQR-CJJGVWJISA-N 0 0 516.550 4.940 50 30 KJEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102707446 555015435 /nfs/dbraw/zinc/01/54/35/555015435.db2.gz CPYBAGUUGBYHQD-TXTDGAROSA-N 0 0 530.621 4.619 50 30 KJEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102707451 555015421 /nfs/dbraw/zinc/01/54/21/555015421.db2.gz CPYBAGUUGBYHQD-DFXXOVSGSA-N 0 0 530.621 4.619 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102709310 555016044 /nfs/dbraw/zinc/01/60/44/555016044.db2.gz PWCOHTZTGLBWKU-CJJGVWJISA-N 0 0 502.567 4.903 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102709317 555016088 /nfs/dbraw/zinc/01/60/88/555016088.db2.gz PWCOHTZTGLBWKU-CZNAVJSXSA-N 0 0 502.567 4.903 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102711462 555016661 /nfs/dbraw/zinc/01/66/61/555016661.db2.gz VIKJWBUDKTXGTJ-IUKMQXEJSA-N 0 0 502.523 4.550 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102711464 555016850 /nfs/dbraw/zinc/01/68/50/555016850.db2.gz VIKJWBUDKTXGTJ-NPJIAGGLSA-N 0 0 502.523 4.550 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102711548 555016776 /nfs/dbraw/zinc/01/67/76/555016776.db2.gz FKZUFWLSUDZTSV-CZNAVJSXSA-N 0 0 516.550 4.940 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102711553 555016831 /nfs/dbraw/zinc/01/68/31/555016831.db2.gz FKZUFWLSUDZTSV-CJJGVWJISA-N 0 0 516.550 4.940 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102712300 555016967 /nfs/dbraw/zinc/01/69/67/555016967.db2.gz JCULQCOWJCAAAW-IUKMQXEJSA-N 0 0 502.523 4.550 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102712303 555017080 /nfs/dbraw/zinc/01/70/80/555017080.db2.gz JCULQCOWJCAAAW-NPJIAGGLSA-N 0 0 502.523 4.550 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccncc3)cc2)c1 ZINC000102712559 555017359 /nfs/dbraw/zinc/01/73/59/555017359.db2.gz WKYZWVNQZWKHHP-ONQGDUAMSA-N 0 0 508.578 4.678 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102712565 555017328 /nfs/dbraw/zinc/01/73/28/555017328.db2.gz WKYZWVNQZWKHHP-UUALVTFQSA-N 0 0 508.578 4.678 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102713780 555017967 /nfs/dbraw/zinc/01/79/67/555017967.db2.gz SMWBBDOHZYVGPY-ONQGDUAMSA-N 0 0 517.578 4.659 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102713782 555018028 /nfs/dbraw/zinc/01/80/28/555018028.db2.gz SMWBBDOHZYVGPY-UUALVTFQSA-N 0 0 517.578 4.659 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000102714572 555018248 /nfs/dbraw/zinc/01/82/48/555018248.db2.gz KLDVKJOCHZGZDK-ONQGDUAMSA-N 0 0 529.589 4.819 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000102714576 555018312 /nfs/dbraw/zinc/01/83/12/555018312.db2.gz KLDVKJOCHZGZDK-UUALVTFQSA-N 0 0 529.589 4.819 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102714783 555018297 /nfs/dbraw/zinc/01/82/97/555018297.db2.gz KHZJVPJMAWLNIK-IUKMQXEJSA-N 0 0 502.523 4.550 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102714788 555018275 /nfs/dbraw/zinc/01/82/75/555018275.db2.gz KHZJVPJMAWLNIK-NPJIAGGLSA-N 0 0 502.523 4.550 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102715358 555018623 /nfs/dbraw/zinc/01/86/23/555018623.db2.gz NINZGFRDQLBRHN-SBXHHDGASA-N 0 0 500.507 4.788 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102715360 555018680 /nfs/dbraw/zinc/01/86/80/555018680.db2.gz NINZGFRDQLBRHN-NXLSWJSLSA-N 0 0 500.507 4.788 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccs3)cc2)c1 ZINC000102716120 555018677 /nfs/dbraw/zinc/01/86/77/555018677.db2.gz GZCNMEUSGXQDAW-ONQGDUAMSA-N 0 0 532.662 4.780 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccs3)cc2)c1 ZINC000102716122 555018942 /nfs/dbraw/zinc/01/89/42/555018942.db2.gz GZCNMEUSGXQDAW-UUALVTFQSA-N 0 0 532.662 4.780 50 30 KJEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102717004 555018879 /nfs/dbraw/zinc/01/88/79/555018879.db2.gz PXUNGYQEEWZUQI-WGGXKBPPSA-N 0 0 526.633 4.636 50 30 KJEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102717005 555018844 /nfs/dbraw/zinc/01/88/44/555018844.db2.gz PXUNGYQEEWZUQI-MIOXIQPJSA-N 0 0 526.633 4.636 50 30 KJEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102718273 555019312 /nfs/dbraw/zinc/01/93/12/555019312.db2.gz SGHSLFSWZSUYRM-CZNAVJSXSA-N 0 0 502.567 4.905 50 30 KJEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102718277 555019295 /nfs/dbraw/zinc/01/92/95/555019295.db2.gz SGHSLFSWZSUYRM-CJJGVWJISA-N 0 0 502.567 4.905 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccccc3)cc2)c1 ZINC000102718474 555019325 /nfs/dbraw/zinc/01/93/25/555019325.db2.gz UQFSUPLWCHCQRA-MIOXIQPJSA-N 0 0 526.633 4.718 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccccc3)cc2)c1 ZINC000102718476 555019281 /nfs/dbraw/zinc/01/92/81/555019281.db2.gz UQFSUPLWCHCQRA-WGGXKBPPSA-N 0 0 526.633 4.718 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102722035 555020431 /nfs/dbraw/zinc/02/04/31/555020431.db2.gz QKKLVTJOSMRGCW-TXTDGAROSA-N 0 0 523.589 4.988 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102722038 555020318 /nfs/dbraw/zinc/02/03/18/555020318.db2.gz QKKLVTJOSMRGCW-DFXXOVSGSA-N 0 0 523.589 4.988 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102725549 555021233 /nfs/dbraw/zinc/02/12/33/555021233.db2.gz AOHPHOXNWFPHHL-TXTDGAROSA-N 0 0 523.589 4.988 50 30 KJEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102725553 555021505 /nfs/dbraw/zinc/02/15/05/555021505.db2.gz AOHPHOXNWFPHHL-DFXXOVSGSA-N 0 0 523.589 4.988 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102729960 555023174 /nfs/dbraw/zinc/02/31/74/555023174.db2.gz ASNWEYBIVDAHRC-IUKMQXEJSA-N 0 0 527.614 4.514 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102729962 555023290 /nfs/dbraw/zinc/02/32/90/555023290.db2.gz ASNWEYBIVDAHRC-NPJIAGGLSA-N 0 0 527.614 4.514 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735256 555025020 /nfs/dbraw/zinc/02/50/20/555025020.db2.gz LRGLOGHYCUXFPO-OHIHJGSSSA-N 0 0 568.670 4.733 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735258 555025332 /nfs/dbraw/zinc/02/53/32/555025332.db2.gz LRGLOGHYCUXFPO-BBHPREIXSA-N 0 0 568.670 4.733 50 30 KJEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735260 555025246 /nfs/dbraw/zinc/02/52/46/555025246.db2.gz LRGLOGHYCUXFPO-MXGWOCHPSA-N 0 0 568.670 4.733 50 30 KJEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735262 555025285 /nfs/dbraw/zinc/02/52/85/555025285.db2.gz LRGLOGHYCUXFPO-YVFJIHQOSA-N 0 0 568.670 4.733 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC[C@@H](C(=O)OCC)C3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102742729 555032599 /nfs/dbraw/zinc/03/25/99/555032599.db2.gz BRVZOKAETOQVFT-DVECYGJZSA-N 0 0 544.073 4.836 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC[C@H](C(=O)OCC)C3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102742731 555032569 /nfs/dbraw/zinc/03/25/69/555032569.db2.gz BRVZOKAETOQVFT-CYFREDJKSA-N 0 0 544.073 4.836 50 30 KJEARN 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KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102857898 555089163 /nfs/dbraw/zinc/08/91/63/555089163.db2.gz HPUROXKCOHGSHJ-ZHHPLPSFSA-N 0 0 502.548 4.948 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102857900 555089123 /nfs/dbraw/zinc/08/91/23/555089123.db2.gz HPUROXKCOHGSHJ-AYWGPLOBSA-N 0 0 502.548 4.948 50 30 KJEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102857996 555089059 /nfs/dbraw/zinc/08/90/59/555089059.db2.gz CMFDAUIHXOCCPI-VEZPTTSMSA-N 0 0 540.660 4.890 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102858000 555089245 /nfs/dbraw/zinc/08/92/45/555089245.db2.gz CMFDAUIHXOCCPI-QMMFTLRZSA-N 0 0 540.660 4.890 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102858331 555089241 /nfs/dbraw/zinc/08/92/41/555089241.db2.gz BOALVHIJPXEHQI-PLQDCEFPSA-N 0 0 598.696 4.742 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102858334 555089078 /nfs/dbraw/zinc/08/90/78/555089078.db2.gz BOALVHIJPXEHQI-ZAOVDLIJSA-N 0 0 598.696 4.742 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102858338 555089193 /nfs/dbraw/zinc/08/91/93/555089193.db2.gz BOALVHIJPXEHQI-ZCCBWQDPSA-N 0 0 598.696 4.742 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102858340 555089170 /nfs/dbraw/zinc/08/91/70/555089170.db2.gz BOALVHIJPXEHQI-VIDUVWHZSA-N 0 0 598.696 4.742 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102858826 555089370 /nfs/dbraw/zinc/08/93/70/555089370.db2.gz DBHZVICHQZXVPF-JBCNATCCSA-N 0 0 522.579 4.580 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102858827 555089409 /nfs/dbraw/zinc/08/94/09/555089409.db2.gz DBHZVICHQZXVPF-MRJHHRETSA-N 0 0 522.579 4.580 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102860161 555090305 /nfs/dbraw/zinc/09/03/05/555090305.db2.gz WISDKELRKFWYSV-ZHHPLPSFSA-N 0 0 523.383 4.873 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102860164 555090388 /nfs/dbraw/zinc/09/03/88/555090388.db2.gz WISDKELRKFWYSV-AYWGPLOBSA-N 0 0 523.383 4.873 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000102860407 555090648 /nfs/dbraw/zinc/09/06/48/555090648.db2.gz DYYFVZVIVUHXBE-MIOXIQPJSA-N 0 0 526.633 4.718 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000102860411 555090582 /nfs/dbraw/zinc/09/05/82/555090582.db2.gz DYYFVZVIVUHXBE-WGGXKBPPSA-N 0 0 526.633 4.718 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000102860777 555090970 /nfs/dbraw/zinc/09/09/70/555090970.db2.gz RQABDAUERFBQPR-MIOXIQPJSA-N 0 0 544.623 4.857 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000102860783 555091253 /nfs/dbraw/zinc/09/12/53/555091253.db2.gz RQABDAUERFBQPR-WGGXKBPPSA-N 0 0 544.623 4.857 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c1C ZINC000102861380 555091484 /nfs/dbraw/zinc/09/14/84/555091484.db2.gz ALZWMPGDTSGMPO-HFEWCJDKSA-N 0 0 538.398 4.588 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102861382 555091551 /nfs/dbraw/zinc/09/15/51/555091551.db2.gz ALZWMPGDTSGMPO-IAMBOQNYSA-N 0 0 538.398 4.588 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102861590 555091562 /nfs/dbraw/zinc/09/15/62/555091562.db2.gz DUEXNGUJYZTVOF-CZNAVJSXSA-N 0 0 527.061 4.971 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102861595 555091615 /nfs/dbraw/zinc/09/16/15/555091615.db2.gz DUEXNGUJYZTVOF-CJJGVWJISA-N 0 0 527.061 4.971 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102862652 555092617 /nfs/dbraw/zinc/09/26/17/555092617.db2.gz LAFKZSAJKCBMAE-CJJGVWJISA-N 0 0 502.567 4.903 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102862655 555092613 /nfs/dbraw/zinc/09/26/13/555092613.db2.gz LAFKZSAJKCBMAE-CZNAVJSXSA-N 0 0 502.567 4.903 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102863226 555092848 /nfs/dbraw/zinc/09/28/48/555092848.db2.gz GIXKJVPUYRJSHT-MIOXIQPJSA-N 0 0 571.630 4.626 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102863232 555092940 /nfs/dbraw/zinc/09/29/40/555092940.db2.gz GIXKJVPUYRJSHT-WGGXKBPPSA-N 0 0 571.630 4.626 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102863539 555093211 /nfs/dbraw/zinc/09/32/11/555093211.db2.gz LEINWDNFNWLTRM-CJJGVWJISA-N 0 0 510.631 4.508 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102863540 555093196 /nfs/dbraw/zinc/09/31/96/555093196.db2.gz LEINWDNFNWLTRM-CZNAVJSXSA-N 0 0 510.631 4.508 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102863956 555093642 /nfs/dbraw/zinc/09/36/42/555093642.db2.gz LEWWNUKQKOGKFQ-IOUQRVAPSA-N 0 0 509.599 4.656 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102863959 555093603 /nfs/dbraw/zinc/09/36/03/555093603.db2.gz LEWWNUKQKOGKFQ-BFLOGMOSSA-N 0 0 509.599 4.656 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102863963 555093497 /nfs/dbraw/zinc/09/34/97/555093497.db2.gz LEWWNUKQKOGKFQ-PLWHFILJSA-N 0 0 509.599 4.656 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102863968 555093826 /nfs/dbraw/zinc/09/38/26/555093826.db2.gz LEWWNUKQKOGKFQ-XCSSDTEYSA-N 0 0 509.599 4.656 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102864413 555094238 /nfs/dbraw/zinc/09/42/38/555094238.db2.gz XKKRKYWPWWIMRL-AYWGPLOBSA-N 0 0 502.548 4.948 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102864416 555094185 /nfs/dbraw/zinc/09/41/85/555094185.db2.gz XKKRKYWPWWIMRL-ZHHPLPSFSA-N 0 0 502.548 4.948 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102864777 555094434 /nfs/dbraw/zinc/09/44/34/555094434.db2.gz QZKJNCRWGOZCSM-NXLSWJSLSA-N 0 0 508.958 4.773 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102864778 555094430 /nfs/dbraw/zinc/09/44/30/555094430.db2.gz QZKJNCRWGOZCSM-SBXHHDGASA-N 0 0 508.958 4.773 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102865055 555094960 /nfs/dbraw/zinc/09/49/60/555094960.db2.gz ABYMGAFBZYDRAN-ZHHPLPSFSA-N 0 0 524.415 4.946 50 30 KJEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102865058 555094921 /nfs/dbraw/zinc/09/49/21/555094921.db2.gz ABYMGAFBZYDRAN-AYWGPLOBSA-N 0 0 524.415 4.946 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000102866488 555095779 /nfs/dbraw/zinc/09/57/79/555095779.db2.gz NLXAGJBJEZOJLK-CJJGVWJISA-N 0 0 510.631 4.650 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000102866493 555095724 /nfs/dbraw/zinc/09/57/24/555095724.db2.gz NLXAGJBJEZOJLK-CZNAVJSXSA-N 0 0 510.631 4.650 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102867830 555097264 /nfs/dbraw/zinc/09/72/64/555097264.db2.gz HGXQUWZDEYZQMA-UUALVTFQSA-N 0 0 515.562 4.877 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102867832 555097232 /nfs/dbraw/zinc/09/72/32/555097232.db2.gz HGXQUWZDEYZQMA-ONQGDUAMSA-N 0 0 515.562 4.877 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102868158 555097637 /nfs/dbraw/zinc/09/76/37/555097637.db2.gz GJPBVECPFVQMLZ-NKHPTUSLSA-N 0 0 501.583 4.507 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102868161 555097513 /nfs/dbraw/zinc/09/75/13/555097513.db2.gz GJPBVECPFVQMLZ-ONLXDWTESA-N 0 0 501.583 4.507 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102868163 555097619 /nfs/dbraw/zinc/09/76/19/555097619.db2.gz GJPBVECPFVQMLZ-HUPAGYGUSA-N 0 0 501.583 4.507 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102868165 555097483 /nfs/dbraw/zinc/09/74/83/555097483.db2.gz GJPBVECPFVQMLZ-KXCNXCNDSA-N 0 0 501.583 4.507 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000102868636 555097887 /nfs/dbraw/zinc/09/78/87/555097887.db2.gz ZRDGFEKQLORYFO-CZNAVJSXSA-N 0 0 502.567 4.756 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000102868639 555097957 /nfs/dbraw/zinc/09/79/57/555097957.db2.gz ZRDGFEKQLORYFO-CJJGVWJISA-N 0 0 502.567 4.756 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102869308 555098761 /nfs/dbraw/zinc/09/87/61/555098761.db2.gz XKWPELCPDFGZIV-CJJGVWJISA-N 0 0 519.550 4.860 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102869310 555098827 /nfs/dbraw/zinc/09/88/27/555098827.db2.gz XKWPELCPDFGZIV-CZNAVJSXSA-N 0 0 519.550 4.860 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102869407 555098903 /nfs/dbraw/zinc/09/89/03/555098903.db2.gz GMFUNKUDXKJXCX-KFLIVHAJSA-N 0 0 614.695 4.580 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102869409 555098812 /nfs/dbraw/zinc/09/88/12/555098812.db2.gz GMFUNKUDXKJXCX-SZYGQJGOSA-N 0 0 614.695 4.580 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102869832 555099542 /nfs/dbraw/zinc/09/95/42/555099542.db2.gz SDMVDRIUXKTWKA-VEZPTTSMSA-N 0 0 581.625 4.754 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102869835 555099503 /nfs/dbraw/zinc/09/95/03/555099503.db2.gz SDMVDRIUXKTWKA-QMMFTLRZSA-N 0 0 581.625 4.754 50 30 KJEARN CCOc1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)cc1 ZINC000102870345 555100363 /nfs/dbraw/zinc/10/03/63/555100363.db2.gz BWFHSAXXZUWGJJ-CORGXWODSA-N 0 0 578.606 4.608 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102870362 555100642 /nfs/dbraw/zinc/10/06/42/555100642.db2.gz QWMGWDLQHBYAKR-DFXXOVSGSA-N 0 0 537.572 4.959 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102870368 555100695 /nfs/dbraw/zinc/10/06/95/555100695.db2.gz QWMGWDLQHBYAKR-TXTDGAROSA-N 0 0 537.572 4.959 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102870565 555100674 /nfs/dbraw/zinc/10/06/74/555100674.db2.gz HHZDVSIRPNUMRR-WGGXKBPPSA-N 0 0 566.695 4.581 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102870568 555100731 /nfs/dbraw/zinc/10/07/31/555100731.db2.gz HHZDVSIRPNUMRR-MIOXIQPJSA-N 0 0 566.695 4.581 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000102871811 555102667 /nfs/dbraw/zinc/10/26/67/555102667.db2.gz QJRQWHORVOEXAJ-WGGXKBPPSA-N 0 0 559.615 4.894 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000102871817 555102649 /nfs/dbraw/zinc/10/26/49/555102649.db2.gz QJRQWHORVOEXAJ-MIOXIQPJSA-N 0 0 559.615 4.894 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102872222 555102685 /nfs/dbraw/zinc/10/26/85/555102685.db2.gz TWJRQMPHTRXCGY-WGGXKBPPSA-N 0 0 551.599 4.745 50 30 KJEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102872224 555102742 /nfs/dbraw/zinc/10/27/42/555102742.db2.gz TWJRQMPHTRXCGY-MIOXIQPJSA-N 0 0 551.599 4.745 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102873378 555103708 /nfs/dbraw/zinc/10/37/08/555103708.db2.gz PNWHCNSQOLRIII-QOISPNJLSA-N 0 0 578.706 4.732 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102873381 555103734 /nfs/dbraw/zinc/10/37/34/555103734.db2.gz PNWHCNSQOLRIII-FCLPXNLHSA-N 0 0 578.706 4.732 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102873384 555103651 /nfs/dbraw/zinc/10/36/51/555103651.db2.gz PNWHCNSQOLRIII-TVKWNQJWSA-N 0 0 578.706 4.732 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102873386 555103761 /nfs/dbraw/zinc/10/37/61/555103761.db2.gz PNWHCNSQOLRIII-YELMDPSYSA-N 0 0 578.706 4.732 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873487 555104011 /nfs/dbraw/zinc/10/40/11/555104011.db2.gz RAHLQIBSVRVFCP-NXLSWJSLSA-N 0 0 532.574 4.957 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102873490 555104000 /nfs/dbraw/zinc/10/40/00/555104000.db2.gz RAHLQIBSVRVFCP-SBXHHDGASA-N 0 0 532.574 4.957 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102874905 555104820 /nfs/dbraw/zinc/10/48/20/555104820.db2.gz FHZVVOGVPXKZET-ZORLYMSLSA-N 0 0 586.685 4.735 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102874909 555104814 /nfs/dbraw/zinc/10/48/14/555104814.db2.gz FHZVVOGVPXKZET-AHPONGEQSA-N 0 0 586.685 4.735 50 30 KJEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102875132 555105138 /nfs/dbraw/zinc/10/51/38/555105138.db2.gz MNGXGWWIGMWHTG-UUALVTFQSA-N 0 0 531.609 4.735 50 30 KJEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102875134 555105161 /nfs/dbraw/zinc/10/51/61/555105161.db2.gz MNGXGWWIGMWHTG-ONQGDUAMSA-N 0 0 531.609 4.735 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102875566 555105522 /nfs/dbraw/zinc/10/55/22/555105522.db2.gz SVYMUFRVRAMTRI-DFXXOVSGSA-N 0 0 536.669 4.573 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102875571 555105483 /nfs/dbraw/zinc/10/54/83/555105483.db2.gz SVYMUFRVRAMTRI-TXTDGAROSA-N 0 0 536.669 4.573 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102875613 555105891 /nfs/dbraw/zinc/10/58/91/555105891.db2.gz QJMQFIVRKUVZBU-MIOXIQPJSA-N 0 0 542.632 4.940 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102875615 555105904 /nfs/dbraw/zinc/10/59/04/555105904.db2.gz QJMQFIVRKUVZBU-WGGXKBPPSA-N 0 0 542.632 4.940 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102876096 555105850 /nfs/dbraw/zinc/10/58/50/555105850.db2.gz JPRNMBSJNPYJAK-NSOCNUKWSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102876098 555105917 /nfs/dbraw/zinc/10/59/17/555105917.db2.gz JPRNMBSJNPYJAK-JVJOXMINSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102876100 555105864 /nfs/dbraw/zinc/10/58/64/555105864.db2.gz JPRNMBSJNPYJAK-ROBPHKHBSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102876104 555105954 /nfs/dbraw/zinc/10/59/54/555105954.db2.gz JPRNMBSJNPYJAK-FZIYRNTBSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102876285 555106168 /nfs/dbraw/zinc/10/61/68/555106168.db2.gz LFDUZZGYWOXELK-DFXXOVSGSA-N 0 0 536.669 4.573 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102876289 555106152 /nfs/dbraw/zinc/10/61/52/555106152.db2.gz LFDUZZGYWOXELK-TXTDGAROSA-N 0 0 536.669 4.573 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102876564 555106296 /nfs/dbraw/zinc/10/62/96/555106296.db2.gz SHPUCVHFAYVULG-HOGKFDNTSA-N 0 0 510.388 4.556 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102876566 555106196 /nfs/dbraw/zinc/10/61/96/555106196.db2.gz SHPUCVHFAYVULG-MOBKVPTQSA-N 0 0 510.388 4.556 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102877052 555106563 /nfs/dbraw/zinc/10/65/63/555106563.db2.gz SMBDMGICOLULFW-TXTDGAROSA-N 0 0 523.589 4.988 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102877056 555106699 /nfs/dbraw/zinc/10/66/99/555106699.db2.gz SMBDMGICOLULFW-DFXXOVSGSA-N 0 0 523.589 4.988 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000102877161 555106672 /nfs/dbraw/zinc/10/66/72/555106672.db2.gz BFFQMYHVKJUSEI-CZNAVJSXSA-N 0 0 502.567 4.905 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000102877164 555106660 /nfs/dbraw/zinc/10/66/60/555106660.db2.gz BFFQMYHVKJUSEI-CJJGVWJISA-N 0 0 502.567 4.905 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102877395 555106878 /nfs/dbraw/zinc/10/68/78/555106878.db2.gz WWBZFKNGSLUCPE-AYWGPLOBSA-N 0 0 524.415 4.946 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102877397 555107013 /nfs/dbraw/zinc/10/70/13/555107013.db2.gz WWBZFKNGSLUCPE-ZHHPLPSFSA-N 0 0 524.415 4.946 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 ZINC000102877409 555106863 /nfs/dbraw/zinc/10/68/63/555106863.db2.gz PUXAIJIEOFGPKQ-MIOXIQPJSA-N 0 0 526.633 4.718 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000102877412 555106815 /nfs/dbraw/zinc/10/68/15/555106815.db2.gz PUXAIJIEOFGPKQ-WGGXKBPPSA-N 0 0 526.633 4.718 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102877553 555106970 /nfs/dbraw/zinc/10/69/70/555106970.db2.gz YTGLMKJNOXGNPC-ZORLYMSLSA-N 0 0 586.685 4.735 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102877555 555106992 /nfs/dbraw/zinc/10/69/92/555106992.db2.gz YTGLMKJNOXGNPC-AHPONGEQSA-N 0 0 586.685 4.735 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102877575 555106872 /nfs/dbraw/zinc/10/68/72/555106872.db2.gz HCPVEMDHRZIZQQ-ZORLYMSLSA-N 0 0 616.711 4.744 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102877579 555106839 /nfs/dbraw/zinc/10/68/39/555106839.db2.gz HCPVEMDHRZIZQQ-AHPONGEQSA-N 0 0 616.711 4.744 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102877658 555106929 /nfs/dbraw/zinc/10/69/29/555106929.db2.gz QZECBDKASQVCTN-AYWGPLOBSA-N 0 0 502.548 4.948 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102877660 555106941 /nfs/dbraw/zinc/10/69/41/555106941.db2.gz QZECBDKASQVCTN-ZHHPLPSFSA-N 0 0 502.548 4.948 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000102878129 555107601 /nfs/dbraw/zinc/10/76/01/555107601.db2.gz JDQOQXXWFZEISC-QKJBWNOYSA-N 0 0 501.583 4.949 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000102878132 555107569 /nfs/dbraw/zinc/10/75/69/555107569.db2.gz JDQOQXXWFZEISC-KQAPWQHSSA-N 0 0 501.583 4.949 50 30 KJEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102878419 555107843 /nfs/dbraw/zinc/10/78/43/555107843.db2.gz WLLBXDCCJZRLQI-CZNAVJSXSA-N 0 0 502.567 4.816 50 30 KJEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102878421 555107758 /nfs/dbraw/zinc/10/77/58/555107758.db2.gz WLLBXDCCJZRLQI-CJJGVWJISA-N 0 0 502.567 4.816 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102879357 555108813 /nfs/dbraw/zinc/10/88/13/555108813.db2.gz GOICJWRYDKHXOQ-ZHHPLPSFSA-N 0 0 502.548 4.948 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102879359 555108716 /nfs/dbraw/zinc/10/87/16/555108716.db2.gz GOICJWRYDKHXOQ-AYWGPLOBSA-N 0 0 502.548 4.948 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102880590 555109592 /nfs/dbraw/zinc/10/95/92/555109592.db2.gz JXZLEAHISVFCNO-CZNAVJSXSA-N 0 0 502.567 4.761 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102880594 555109560 /nfs/dbraw/zinc/10/95/60/555109560.db2.gz JXZLEAHISVFCNO-CJJGVWJISA-N 0 0 502.567 4.761 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102880872 555109461 /nfs/dbraw/zinc/10/94/61/555109461.db2.gz ADHKSYDFSXFELX-ONQGDUAMSA-N 0 0 547.604 4.668 50 30 KJEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102880875 555109513 /nfs/dbraw/zinc/10/95/13/555109513.db2.gz ADHKSYDFSXFELX-UUALVTFQSA-N 0 0 547.604 4.668 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000102881121 555109784 /nfs/dbraw/zinc/10/97/84/555109784.db2.gz QQGNBNKRESKAER-HOGKFDNTSA-N 0 0 501.421 4.530 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000102881126 555109890 /nfs/dbraw/zinc/10/98/90/555109890.db2.gz QQGNBNKRESKAER-MOBKVPTQSA-N 0 0 501.421 4.530 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1 ZINC000102881276 555109818 /nfs/dbraw/zinc/10/98/18/555109818.db2.gz RVJXYDKKYUJUHC-ONQGDUAMSA-N 0 0 532.662 4.780 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 ZINC000102881278 555109924 /nfs/dbraw/zinc/10/99/24/555109924.db2.gz RVJXYDKKYUJUHC-UUALVTFQSA-N 0 0 532.662 4.780 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881511 555110227 /nfs/dbraw/zinc/11/02/27/555110227.db2.gz KMIVXPAAWZQEBF-ZHHPLPSFSA-N 0 0 532.574 4.957 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881514 555110166 /nfs/dbraw/zinc/11/01/66/555110166.db2.gz KMIVXPAAWZQEBF-AYWGPLOBSA-N 0 0 532.574 4.957 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000102882057 555110448 /nfs/dbraw/zinc/11/04/48/555110448.db2.gz KBTLOTPNNFSUNS-JBCNATCCSA-N 0 0 506.580 4.962 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000102882063 555110481 /nfs/dbraw/zinc/11/04/81/555110481.db2.gz KBTLOTPNNFSUNS-MRJHHRETSA-N 0 0 506.580 4.962 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102882574 555110774 /nfs/dbraw/zinc/11/07/74/555110774.db2.gz KYDWHRVOYPUYNM-MRJHHRETSA-N 0 0 506.580 4.962 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102882577 555110725 /nfs/dbraw/zinc/11/07/25/555110725.db2.gz KYDWHRVOYPUYNM-JBCNATCCSA-N 0 0 506.580 4.962 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102882708 555111128 /nfs/dbraw/zinc/11/11/28/555111128.db2.gz DBHBZCGBFRFTHO-AYWGPLOBSA-N 0 0 532.574 4.957 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102882710 555111050 /nfs/dbraw/zinc/11/10/50/555111050.db2.gz DBHBZCGBFRFTHO-ZHHPLPSFSA-N 0 0 532.574 4.957 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102883205 555111715 /nfs/dbraw/zinc/11/17/15/555111715.db2.gz AFYHYNRVBGBTFG-MIOXIQPJSA-N 0 0 571.630 4.626 50 30 KJEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102883207 555111696 /nfs/dbraw/zinc/11/16/96/555111696.db2.gz AFYHYNRVBGBTFG-WGGXKBPPSA-N 0 0 571.630 4.626 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102883247 555111723 /nfs/dbraw/zinc/11/17/23/555111723.db2.gz IHRMJQWFQDZYTK-ZHHPLPSFSA-N 0 0 502.548 4.948 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102883249 555111690 /nfs/dbraw/zinc/11/16/90/555111690.db2.gz IHRMJQWFQDZYTK-AYWGPLOBSA-N 0 0 502.548 4.948 50 30 KJEARN CCOc1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)cc1 ZINC000102883812 555112328 /nfs/dbraw/zinc/11/23/28/555112328.db2.gz CBOBQZCQKQRBTK-RMCPPYIKSA-N 0 0 578.606 4.608 50 30 KJEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102884257 555113135 /nfs/dbraw/zinc/11/31/35/555113135.db2.gz YPXDDXXYYZKDRA-QMMFTLRZSA-N 0 0 556.659 4.727 50 30 KJEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102884259 555113147 /nfs/dbraw/zinc/11/31/47/555113147.db2.gz YPXDDXXYYZKDRA-VEZPTTSMSA-N 0 0 556.659 4.727 50 30 KJEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102884353 555113186 /nfs/dbraw/zinc/11/31/86/555113186.db2.gz UBCAGRVRNYVQIU-CZNAVJSXSA-N 0 0 502.567 4.756 50 30 KJEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102884355 555113128 /nfs/dbraw/zinc/11/31/28/555113128.db2.gz UBCAGRVRNYVQIU-CJJGVWJISA-N 0 0 502.567 4.756 50 30 KJEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102884446 555113423 /nfs/dbraw/zinc/11/34/23/555113423.db2.gz HPYPJSXQYCZYNA-VDLDRNGKSA-N 0 0 515.610 4.897 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102884448 555113515 /nfs/dbraw/zinc/11/35/15/555113515.db2.gz HPYPJSXQYCZYNA-PMABHTPKSA-N 0 0 515.610 4.897 50 30 KJEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102884449 555113439 /nfs/dbraw/zinc/11/34/39/555113439.db2.gz HPYPJSXQYCZYNA-MNEKTFPPSA-N 0 0 515.610 4.897 50 30 KJEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102884452 555113572 /nfs/dbraw/zinc/11/35/72/555113572.db2.gz HPYPJSXQYCZYNA-HGZLRSGXSA-N 0 0 515.610 4.897 50 30 KJEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)COCc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000102885777 555116056 /nfs/dbraw/zinc/11/60/56/555116056.db2.gz BYJPFHBSXLGPSS-YTTGMZPUSA-N 0 0 538.692 4.777 50 30 KJEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)COCc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000102885780 555116150 /nfs/dbraw/zinc/11/61/50/555116150.db2.gz BYJPFHBSXLGPSS-JGCGQSQUSA-N 0 0 538.692 4.777 50 30 KJEARN COc1ccc(CC(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc1 ZINC000102885786 555116073 /nfs/dbraw/zinc/11/60/73/555116073.db2.gz MQQUFIJJCUYUKU-YTTGMZPUSA-N 0 0 538.692 4.812 50 30 KJEARN COc1ccc(CC(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc1 ZINC000102885792 555116148 /nfs/dbraw/zinc/11/61/48/555116148.db2.gz MQQUFIJJCUYUKU-JGCGQSQUSA-N 0 0 538.692 4.812 50 30 KJEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102886296 555116677 /nfs/dbraw/zinc/11/66/77/555116677.db2.gz CYGMMJGCYWDQEC-UUALVTFQSA-N 0 0 539.625 4.884 50 30 KJEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102886298 555116649 /nfs/dbraw/zinc/11/66/49/555116649.db2.gz CYGMMJGCYWDQEC-ONQGDUAMSA-N 0 0 539.625 4.884 50 30 KJEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000102886655 555117257 /nfs/dbraw/zinc/11/72/57/555117257.db2.gz ONWQJAZWXJUJDX-HHHXNRCGSA-N 0 0 552.590 4.809 50 30 KJEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000102886659 555117323 /nfs/dbraw/zinc/11/73/23/555117323.db2.gz ONWQJAZWXJUJDX-MHZLTWQESA-N 0 0 552.590 4.809 50 30 KJEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102887611 555119585 /nfs/dbraw/zinc/11/95/85/555119585.db2.gz XYNGHYOMMARCMW-SBXHHDGASA-N 0 0 542.569 4.789 50 30 KJEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102887616 555119566 /nfs/dbraw/zinc/11/95/66/555119566.db2.gz XYNGHYOMMARCMW-NXLSWJSLSA-N 0 0 542.569 4.789 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102888307 555121451 /nfs/dbraw/zinc/12/14/51/555121451.db2.gz LFHXSORTISLMLN-VDLDRNGKSA-N 0 0 515.610 4.897 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102888308 555121478 /nfs/dbraw/zinc/12/14/78/555121478.db2.gz LFHXSORTISLMLN-PMABHTPKSA-N 0 0 515.610 4.897 50 30 KJEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102888309 555121459 /nfs/dbraw/zinc/12/14/59/555121459.db2.gz LFHXSORTISLMLN-MNEKTFPPSA-N 0 0 515.610 4.897 50 30 KJEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102888310 555121492 /nfs/dbraw/zinc/12/14/92/555121492.db2.gz LFHXSORTISLMLN-HGZLRSGXSA-N 0 0 515.610 4.897 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102889301 555123492 /nfs/dbraw/zinc/12/34/92/555123492.db2.gz WZWOPJRERZTJQT-HOGKFDNTSA-N 0 0 552.605 4.676 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102889303 555123563 /nfs/dbraw/zinc/12/35/63/555123563.db2.gz WZWOPJRERZTJQT-MOBKVPTQSA-N 0 0 552.605 4.676 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102890061 555124839 /nfs/dbraw/zinc/12/48/39/555124839.db2.gz SGUIRXDCDSDEKC-NSOCNUKWSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102890064 555124798 /nfs/dbraw/zinc/12/47/98/555124798.db2.gz SGUIRXDCDSDEKC-JVJOXMINSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102890066 555124834 /nfs/dbraw/zinc/12/48/34/555124834.db2.gz SGUIRXDCDSDEKC-ROBPHKHBSA-N 0 0 514.578 4.824 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102890067 555124754 /nfs/dbraw/zinc/12/47/54/555124754.db2.gz SGUIRXDCDSDEKC-FZIYRNTBSA-N 0 0 514.578 4.824 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890174 555125243 /nfs/dbraw/zinc/12/52/43/555125243.db2.gz VVRCXHGSQRVOMC-PNHZJWGWSA-N 0 0 548.617 4.977 50 30 KJEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890176 555125291 /nfs/dbraw/zinc/12/52/91/555125291.db2.gz VVRCXHGSQRVOMC-JEFHYQBXSA-N 0 0 548.617 4.977 50 30 KJEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890178 555125228 /nfs/dbraw/zinc/12/52/28/555125228.db2.gz VVRCXHGSQRVOMC-NMSSPVSYSA-N 0 0 548.617 4.977 50 30 KJEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102890179 555125302 /nfs/dbraw/zinc/12/53/02/555125302.db2.gz VVRCXHGSQRVOMC-BGJULJLKSA-N 0 0 548.617 4.977 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890310 555125208 /nfs/dbraw/zinc/12/52/08/555125208.db2.gz XIEFKCCMEKLTMM-LXIOPLLASA-N 0 0 544.585 4.969 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890311 555125647 /nfs/dbraw/zinc/12/56/47/555125647.db2.gz XIEFKCCMEKLTMM-FWOIGAHVSA-N 0 0 544.585 4.969 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890312 555125644 /nfs/dbraw/zinc/12/56/44/555125644.db2.gz XIEFKCCMEKLTMM-JBODOUGHSA-N 0 0 544.585 4.969 50 30 KJEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102890313 555125636 /nfs/dbraw/zinc/12/56/36/555125636.db2.gz XIEFKCCMEKLTMM-ANCNPBKRSA-N 0 0 544.585 4.969 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102890840 555126584 /nfs/dbraw/zinc/12/65/84/555126584.db2.gz HNZOETKTHIWVPN-HOGKFDNTSA-N 0 0 552.605 4.676 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102890842 555126525 /nfs/dbraw/zinc/12/65/25/555126525.db2.gz HNZOETKTHIWVPN-MOBKVPTQSA-N 0 0 552.605 4.676 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000102891100 555126799 /nfs/dbraw/zinc/12/67/99/555126799.db2.gz NOJATTSPKCYOOO-DFXXOVSGSA-N 0 0 545.588 4.504 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000102891103 555126914 /nfs/dbraw/zinc/12/69/14/555126914.db2.gz NOJATTSPKCYOOO-TXTDGAROSA-N 0 0 545.588 4.504 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102891581 555127549 /nfs/dbraw/zinc/12/75/49/555127549.db2.gz UPDYDUHSISIUJJ-UUALVTFQSA-N 0 0 515.562 4.530 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102891583 555127451 /nfs/dbraw/zinc/12/74/51/555127451.db2.gz UPDYDUHSISIUJJ-ONQGDUAMSA-N 0 0 515.562 4.530 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102891611 555127505 /nfs/dbraw/zinc/12/75/05/555127505.db2.gz XRVNVMZUQVLCPW-JVZIKCOHSA-N 0 0 534.590 4.587 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102891615 555127526 /nfs/dbraw/zinc/12/75/26/555127526.db2.gz XRVNVMZUQVLCPW-CTVAMRBASA-N 0 0 534.590 4.587 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102891619 555127462 /nfs/dbraw/zinc/12/74/62/555127462.db2.gz XRVNVMZUQVLCPW-PMLJWHLSSA-N 0 0 534.590 4.587 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102891624 555127534 /nfs/dbraw/zinc/12/75/34/555127534.db2.gz XRVNVMZUQVLCPW-SJKYFALESA-N 0 0 534.590 4.587 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000102891679 555127456 /nfs/dbraw/zinc/12/74/56/555127456.db2.gz DQDWZLSRDONDGH-PNHZJWGWSA-N 0 0 548.617 4.977 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000102891681 555127541 /nfs/dbraw/zinc/12/75/41/555127541.db2.gz DQDWZLSRDONDGH-JEFHYQBXSA-N 0 0 548.617 4.977 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000102891682 555127782 /nfs/dbraw/zinc/12/77/82/555127782.db2.gz DQDWZLSRDONDGH-NMSSPVSYSA-N 0 0 548.617 4.977 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000102891684 555127801 /nfs/dbraw/zinc/12/78/01/555127801.db2.gz DQDWZLSRDONDGH-BGJULJLKSA-N 0 0 548.617 4.977 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102892386 555128725 /nfs/dbraw/zinc/12/87/25/555128725.db2.gz FLYIJXKNQSLWDY-CJJGVWJISA-N 0 0 502.567 4.898 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102892388 555128650 /nfs/dbraw/zinc/12/86/50/555128650.db2.gz FLYIJXKNQSLWDY-CZNAVJSXSA-N 0 0 502.567 4.898 50 30 KJEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102893759 555131328 /nfs/dbraw/zinc/13/13/28/555131328.db2.gz URVNHIFLSHCPNK-CZNAVJSXSA-N 0 0 502.567 4.756 50 30 KJEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102893761 555131319 /nfs/dbraw/zinc/13/13/19/555131319.db2.gz URVNHIFLSHCPNK-CJJGVWJISA-N 0 0 502.567 4.756 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893876 555131589 /nfs/dbraw/zinc/13/15/89/555131589.db2.gz TTZZZJQFTDVFFJ-YREDKMEYSA-N 0 0 545.636 4.906 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893878 555131597 /nfs/dbraw/zinc/13/15/97/555131597.db2.gz TTZZZJQFTDVFFJ-YFVVEFNMSA-N 0 0 545.636 4.906 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893879 555131640 /nfs/dbraw/zinc/13/16/40/555131640.db2.gz TTZZZJQFTDVFFJ-FGEDTZIGSA-N 0 0 545.636 4.906 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893881 555131649 /nfs/dbraw/zinc/13/16/49/555131649.db2.gz TTZZZJQFTDVFFJ-LODGOHBISA-N 0 0 545.636 4.906 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102894018 555131923 /nfs/dbraw/zinc/13/19/23/555131923.db2.gz BUQRAQUJSAWRCO-DFXXOVSGSA-N 0 0 529.589 4.920 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102894020 555131961 /nfs/dbraw/zinc/13/19/61/555131961.db2.gz BUQRAQUJSAWRCO-TXTDGAROSA-N 0 0 529.589 4.920 50 30 KJEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1\s/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1-c1ccccc1 ZINC000102894234 555132237 /nfs/dbraw/zinc/13/22/37/555132237.db2.gz UBLBENCMWQCLPL-YJGJAXGESA-N 0 0 568.998 4.862 50 30 KJEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102894797 555133266 /nfs/dbraw/zinc/13/32/66/555133266.db2.gz TUNARWOURICMIO-SBXHHDGASA-N 0 0 530.558 4.798 50 30 KJEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102894799 555133190 /nfs/dbraw/zinc/13/31/90/555133190.db2.gz TUNARWOURICMIO-NXLSWJSLSA-N 0 0 530.558 4.798 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102895256 555133833 /nfs/dbraw/zinc/13/38/33/555133833.db2.gz GXPYGJROKWVKEJ-HALAOQOWSA-N 0 0 578.643 4.985 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102895257 555134147 /nfs/dbraw/zinc/13/41/47/555134147.db2.gz GXPYGJROKWVKEJ-AIKCTZLLSA-N 0 0 578.643 4.985 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102895258 555134001 /nfs/dbraw/zinc/13/40/01/555134001.db2.gz GXPYGJROKWVKEJ-BBHOXHGRSA-N 0 0 578.643 4.985 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102895259 555134101 /nfs/dbraw/zinc/13/41/01/555134101.db2.gz GXPYGJROKWVKEJ-WRPQUVRJSA-N 0 0 578.643 4.985 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102895475 555134708 /nfs/dbraw/zinc/13/47/08/555134708.db2.gz XQZCCTGJEMAZGJ-DFXXOVSGSA-N 0 0 561.635 4.600 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102895479 555134691 /nfs/dbraw/zinc/13/46/91/555134691.db2.gz XQZCCTGJEMAZGJ-TXTDGAROSA-N 0 0 561.635 4.600 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000102895977 555135534 /nfs/dbraw/zinc/13/55/34/555135534.db2.gz LIIIECGETBKSAB-KXDYMIPJSA-N 0 0 523.626 4.902 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000102895978 555135552 /nfs/dbraw/zinc/13/55/52/555135552.db2.gz LIIIECGETBKSAB-ZLYDLHQSSA-N 0 0 523.626 4.902 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000102895980 555135439 /nfs/dbraw/zinc/13/54/39/555135439.db2.gz LIIIECGETBKSAB-NGAXIMOQSA-N 0 0 523.626 4.902 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000102895982 555135543 /nfs/dbraw/zinc/13/55/43/555135543.db2.gz LIIIECGETBKSAB-JLPDLQRYSA-N 0 0 523.626 4.902 50 30 KJEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102896432 555136337 /nfs/dbraw/zinc/13/63/37/555136337.db2.gz XGGLHDKLUPFSFZ-HOGKFDNTSA-N 0 0 534.590 4.759 50 30 KJEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102896434 555136585 /nfs/dbraw/zinc/13/65/85/555136585.db2.gz XGGLHDKLUPFSFZ-MOBKVPTQSA-N 0 0 534.590 4.759 50 30 KJEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000102896804 555136865 /nfs/dbraw/zinc/13/68/65/555136865.db2.gz LPRQICDIWMERSG-SBXHHDGASA-N 0 0 566.404 4.599 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000102896805 555136954 /nfs/dbraw/zinc/13/69/54/555136954.db2.gz LPRQICDIWMERSG-NXLSWJSLSA-N 0 0 566.404 4.599 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102896865 555137303 /nfs/dbraw/zinc/13/73/03/555137303.db2.gz XWCYXASQVDEHOY-CZNAVJSXSA-N 0 0 502.567 4.900 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102896868 555137236 /nfs/dbraw/zinc/13/72/36/555137236.db2.gz XWCYXASQVDEHOY-CJJGVWJISA-N 0 0 502.567 4.900 50 30 KJEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCc1nc(N)nc(N)n1 ZINC000102900709 555139957 /nfs/dbraw/zinc/13/99/57/555139957.db2.gz YTXLFKZLJRBCHL-UHFFFAOYSA-N 0 0 521.489 4.622 50 30 KJEARN COc1ccc(CCN(Cc2cccs2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000102915073 555143703 /nfs/dbraw/zinc/14/37/03/555143703.db2.gz ANKHLJYOADNUIF-VWLOTQADSA-N 0 0 562.692 4.921 50 30 KJEARN COc1ccc(CCN(Cc2cccs2)C(=O)CN(C[C@H]2CCCO2)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000102915074 555143753 /nfs/dbraw/zinc/14/37/53/555143753.db2.gz ANKHLJYOADNUIF-RUZDIDTESA-N 0 0 562.692 4.921 50 30 KJEARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000102915323 555143698 /nfs/dbraw/zinc/14/36/98/555143698.db2.gz IETKJUNNHXMGBM-UHFFFAOYSA-N 0 0 550.681 4.779 50 30 KJEARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1cccc(C#N)c1 ZINC000102915698 555143953 /nfs/dbraw/zinc/14/39/53/555143953.db2.gz SWTLCELPSMTMHG-UHFFFAOYSA-N 0 0 550.681 4.697 50 30 KJEARN CCOC(=O)c1cccc(NC(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000102915726 555143956 /nfs/dbraw/zinc/14/39/56/555143956.db2.gz YUYMPVPOUKQEBK-LJAQVGFWSA-N 0 0 542.636 4.851 50 30 KJEARN CCOC(=O)c1cccc(NC(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1 ZINC000102915728 555144011 /nfs/dbraw/zinc/14/40/11/555144011.db2.gz YUYMPVPOUKQEBK-GDLZYMKVSA-N 0 0 542.636 4.851 50 30 KJEARN COC(=O)c1cccc(NC(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1C ZINC000102915741 555144044 /nfs/dbraw/zinc/14/40/44/555144044.db2.gz XTGOKJGBFKVJCO-LJAQVGFWSA-N 0 0 542.636 4.770 50 30 KJEARN COC(=O)c1cccc(NC(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)c1C ZINC000102915742 555143998 /nfs/dbraw/zinc/14/39/98/555143998.db2.gz XTGOKJGBFKVJCO-GDLZYMKVSA-N 0 0 542.636 4.770 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000102915786 555143982 /nfs/dbraw/zinc/14/39/82/555143982.db2.gz MIKRSDYUYFYKLY-LJAQVGFWSA-N 0 0 542.636 4.851 50 30 KJEARN CCOC(=O)c1ccc(NC(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000102915788 555144056 /nfs/dbraw/zinc/14/40/56/555144056.db2.gz MIKRSDYUYFYKLY-GDLZYMKVSA-N 0 0 542.636 4.851 50 30 KJEARN CCc1cc(Br)ccc1N1C(=O)C[C@H](N2CCNC2=C2CCC(=Cc3ccc(Cl)cc3)C2=O)C1=O ZINC000102921592 1066512227 /nfs/dbraw/zinc/51/22/27/1066512227.db2.gz LNFPDWQIJCMRIR-JGHWMGMWSA-N 0 0 554.872 4.860 50 30 KJEARN CCc1cc(Br)ccc1N1C(=O)C[C@H](N2CCNC2=C2CCC(=Cc3ccc(Cl)cc3)C2=O)C1=O ZINC000102921594 1066512005 /nfs/dbraw/zinc/51/20/05/1066512005.db2.gz LNFPDWQIJCMRIR-IPZAXVLLSA-N 0 0 554.872 4.860 50 30 KJEARN CCc1cc(Br)ccc1N1C(=O)C[C@H](N2CCNC2=C2CCC(=Cc3ccc(Cl)cc3)C2=O)C1=O ZINC000102921597 555146986 /nfs/dbraw/zinc/14/69/86/555146986.db2.gz LNFPDWQIJCMRIR-MNPLAAHQSA-N 0 0 554.872 4.860 50 30 KJEARN CCc1cc(Br)ccc1N1C(=O)C[C@H](N2CCNC2=C2CCC(=Cc3ccc(Cl)cc3)C2=O)C1=O ZINC000102921598 1066512531 /nfs/dbraw/zinc/51/25/31/1066512531.db2.gz LNFPDWQIJCMRIR-TVRULYRUSA-N 0 0 554.872 4.860 50 30 KJEARN COc1ccc([C@H](C(=O)C(=O)CC2N(C)c3ccccc3C2(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102922991 1066512480 /nfs/dbraw/zinc/51/24/80/1066512480.db2.gz BFQGCOAYZZVPBB-CYPYGTSXSA-N 0 0 529.656 4.939 50 30 KJEARN COc1ccc([C@H](C(=O)C(=O)CC2N(C)c3ccccc3C2(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102922993 555147603 /nfs/dbraw/zinc/14/76/03/555147603.db2.gz BFQGCOAYZZVPBB-MHTKJVKOSA-N 0 0 529.656 4.939 50 30 KJEARN COc1ccc([C@H](C(=O)C(=O)CC2N(C)c3ccccc3C2(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102922995 555147848 /nfs/dbraw/zinc/14/78/48/555147848.db2.gz BFQGCOAYZZVPBB-PNOBCQDZSA-N 0 0 529.656 4.939 50 30 KJEARN N#Cc1c(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102924687 555148972 /nfs/dbraw/zinc/14/89/72/555148972.db2.gz CXIWLGWKHILKHV-UHFFFAOYSA-N 0 0 599.665 4.621 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102924967 555149173 /nfs/dbraw/zinc/14/91/73/555149173.db2.gz PIQVMTLYQJLJPT-ONQGDUAMSA-N 0 0 506.643 4.626 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102924969 555149185 /nfs/dbraw/zinc/14/91/85/555149185.db2.gz PIQVMTLYQJLJPT-UUALVTFQSA-N 0 0 506.643 4.626 50 30 KJEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102925596 555149871 /nfs/dbraw/zinc/14/98/71/555149871.db2.gz BHBNBDYNFCUSRC-JBCNATCCSA-N 0 0 506.580 4.744 50 30 KJEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102925599 555149856 /nfs/dbraw/zinc/14/98/56/555149856.db2.gz BHBNBDYNFCUSRC-MRJHHRETSA-N 0 0 506.580 4.744 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)ccc1O ZINC000102925605 555149895 /nfs/dbraw/zinc/14/98/95/555149895.db2.gz KDQBYKAXIQZCPW-UUALVTFQSA-N 0 0 517.578 4.746 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)ccc1O ZINC000102925607 555149848 /nfs/dbraw/zinc/14/98/48/555149848.db2.gz KDQBYKAXIQZCPW-ONQGDUAMSA-N 0 0 517.578 4.746 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102925987 555150363 /nfs/dbraw/zinc/15/03/63/555150363.db2.gz CFWMPEMKORBOCE-ONQGDUAMSA-N 0 0 520.670 4.917 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102925989 555150436 /nfs/dbraw/zinc/15/04/36/555150436.db2.gz CFWMPEMKORBOCE-UUALVTFQSA-N 0 0 520.670 4.917 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccncc2)cc1 ZINC000102926006 555150319 /nfs/dbraw/zinc/15/03/19/555150319.db2.gz KJPGNPZKKOBBRJ-ONQGDUAMSA-N 0 0 508.578 4.678 50 30 KJEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccncc2)cc1 ZINC000102926009 555150358 /nfs/dbraw/zinc/15/03/58/555150358.db2.gz KJPGNPZKKOBBRJ-UUALVTFQSA-N 0 0 508.578 4.678 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000102926087 555150382 /nfs/dbraw/zinc/15/03/82/555150382.db2.gz WUSRTLZYVWEWNC-HOGKFDNTSA-N 0 0 501.421 4.530 50 30 KJEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102926089 555150418 /nfs/dbraw/zinc/15/04/18/555150418.db2.gz WUSRTLZYVWEWNC-MOBKVPTQSA-N 0 0 501.421 4.530 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102927033 555151722 /nfs/dbraw/zinc/15/17/22/555151722.db2.gz JCZHWIFLGQBWIR-CJJGVWJISA-N 0 0 503.599 4.971 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102927037 555151706 /nfs/dbraw/zinc/15/17/06/555151706.db2.gz JCZHWIFLGQBWIR-CZNAVJSXSA-N 0 0 503.599 4.971 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102927751 555152396 /nfs/dbraw/zinc/15/23/96/555152396.db2.gz YGTHTPHVNCERKW-NXLSWJSLSA-N 0 0 562.600 4.966 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102927754 555152430 /nfs/dbraw/zinc/15/24/30/555152430.db2.gz YGTHTPHVNCERKW-SBXHHDGASA-N 0 0 562.600 4.966 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102927892 555152641 /nfs/dbraw/zinc/15/26/41/555152641.db2.gz OATLTRSLFCVENY-IUKMQXEJSA-N 0 0 527.614 4.658 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102927895 555152702 /nfs/dbraw/zinc/15/27/02/555152702.db2.gz OATLTRSLFCVENY-NPJIAGGLSA-N 0 0 527.614 4.658 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102927935 555152895 /nfs/dbraw/zinc/15/28/95/555152895.db2.gz CBROOCOIZQCUTG-QKJBWNOYSA-N 0 0 532.641 4.814 50 30 KJEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102927939 555152929 /nfs/dbraw/zinc/15/29/29/555152929.db2.gz CBROOCOIZQCUTG-KQAPWQHSSA-N 0 0 532.641 4.814 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102928027 555153244 /nfs/dbraw/zinc/15/32/44/555153244.db2.gz WZRXHGVHHGHLSD-MIOXIQPJSA-N 0 0 571.630 4.626 50 30 KJEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102928030 555153235 /nfs/dbraw/zinc/15/32/35/555153235.db2.gz WZRXHGVHHGHLSD-WGGXKBPPSA-N 0 0 571.630 4.626 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000102928338 555153706 /nfs/dbraw/zinc/15/37/06/555153706.db2.gz LNZCJTBOHCXMQQ-ONQGDUAMSA-N 0 0 506.643 4.626 50 30 KJEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000102928340 555153758 /nfs/dbraw/zinc/15/37/58/555153758.db2.gz LNZCJTBOHCXMQQ-UUALVTFQSA-N 0 0 506.643 4.626 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102929180 555154735 /nfs/dbraw/zinc/15/47/35/555154735.db2.gz SIYVGCVFMQXVEV-CJJGVWJISA-N 0 0 519.598 4.591 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102929182 555154693 /nfs/dbraw/zinc/15/46/93/555154693.db2.gz SIYVGCVFMQXVEV-CZNAVJSXSA-N 0 0 519.598 4.591 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102929871 555156199 /nfs/dbraw/zinc/15/61/99/555156199.db2.gz IKBKOOHRDXMHAK-AYWGPLOBSA-N 0 0 524.415 4.946 50 30 KJEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102929874 555156231 /nfs/dbraw/zinc/15/62/31/555156231.db2.gz IKBKOOHRDXMHAK-ZHHPLPSFSA-N 0 0 524.415 4.946 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102929896 555156187 /nfs/dbraw/zinc/15/61/87/555156187.db2.gz MVVYUCUHJCFDHN-ONQGDUAMSA-N 0 0 517.578 4.746 50 30 KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000102929897 555156082 /nfs/dbraw/zinc/15/60/82/555156082.db2.gz MVVYUCUHJCFDHN-UUALVTFQSA-N 0 0 517.578 4.746 50 30 KJEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2o1 ZINC000102930108 555156511 /nfs/dbraw/zinc/15/65/11/555156511.db2.gz JMPYEHNSCNIFLM-UHFFFAOYSA-N 0 0 543.970 4.793 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102930289 555156700 /nfs/dbraw/zinc/15/67/00/555156700.db2.gz KJLATQVQXBAJBM-MIOXIQPJSA-N 0 0 542.632 4.940 50 30 KJEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102930292 555156748 /nfs/dbraw/zinc/15/67/48/555156748.db2.gz KJLATQVQXBAJBM-WGGXKBPPSA-N 0 0 542.632 4.940 50 30 KJEARN CC(C)Nc1sc(C(=O)Nc2cccc(C#N)c2)c(N)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102930812 555157547 /nfs/dbraw/zinc/15/75/47/555157547.db2.gz WPHAOIZFVHQBPF-SSEXGKCCSA-N 0 0 578.742 4.775 50 30 KJEARN CC(C)Nc1sc(C(=O)Nc2cccc(C#N)c2)c(N)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102930815 555157989 /nfs/dbraw/zinc/15/79/89/555157989.db2.gz WPHAOIZFVHQBPF-PMERELPUSA-N 0 0 578.742 4.775 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102930860 555158043 /nfs/dbraw/zinc/15/80/43/555158043.db2.gz IQMFVXGRJDGOSK-CZNAVJSXSA-N 0 0 519.598 4.591 50 30 KJEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102930861 555158075 /nfs/dbraw/zinc/15/80/75/555158075.db2.gz IQMFVXGRJDGOSK-CJJGVWJISA-N 0 0 519.598 4.591 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102930949 555158310 /nfs/dbraw/zinc/15/83/10/555158310.db2.gz DBUBLDZYZCQOBB-KXDYMIPJSA-N 0 0 531.609 4.516 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102930950 555158261 /nfs/dbraw/zinc/15/82/61/555158261.db2.gz DBUBLDZYZCQOBB-ZLYDLHQSSA-N 0 0 531.609 4.516 50 30 KJEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102930951 555158217 /nfs/dbraw/zinc/15/82/17/555158217.db2.gz DBUBLDZYZCQOBB-NGAXIMOQSA-N 0 0 531.609 4.516 50 30 KJEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102930952 555158170 /nfs/dbraw/zinc/15/81/70/555158170.db2.gz DBUBLDZYZCQOBB-JLPDLQRYSA-N 0 0 531.609 4.516 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000102931472 555158754 /nfs/dbraw/zinc/15/87/54/555158754.db2.gz DEEOTAZKKKRPKC-YVFJIHQOSA-N 0 0 592.733 4.978 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000102931476 555158856 /nfs/dbraw/zinc/15/88/56/555158856.db2.gz DEEOTAZKKKRPKC-BBHPREIXSA-N 0 0 592.733 4.978 50 30 KJEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000102931478 555158769 /nfs/dbraw/zinc/15/87/69/555158769.db2.gz DEEOTAZKKKRPKC-MXGWOCHPSA-N 0 0 592.733 4.978 50 30 KJEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000102931482 555158834 /nfs/dbraw/zinc/15/88/34/555158834.db2.gz DEEOTAZKKKRPKC-OHIHJGSSSA-N 0 0 592.733 4.978 50 30 KJEARN COc1ccc(NC(=O)c2c(N)c(C(=O)Nc3cccc(C#N)c3)sc2Nc2ccc(F)cc2)cc1OC ZINC000102931784 555159436 /nfs/dbraw/zinc/15/94/36/555159436.db2.gz LFKJIDPIMLPAQK-XMMPIXPASA-N 0 0 531.569 4.751 50 30 KJEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000102932782 555160224 /nfs/dbraw/zinc/16/02/24/555160224.db2.gz IQIPDGUAKTXRIO-WSQFUPHQSA-N 0 0 568.998 4.862 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102933427 555160575 /nfs/dbraw/zinc/16/05/75/555160575.db2.gz DPQAWCGHLWJFFB-IOUQRVAPSA-N 0 0 509.599 4.656 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102933430 555160556 /nfs/dbraw/zinc/16/05/56/555160556.db2.gz DPQAWCGHLWJFFB-BFLOGMOSSA-N 0 0 509.599 4.656 50 30 KJEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102933433 555160564 /nfs/dbraw/zinc/16/05/64/555160564.db2.gz DPQAWCGHLWJFFB-PLWHFILJSA-N 0 0 509.599 4.656 50 30 KJEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102933434 555160502 /nfs/dbraw/zinc/16/05/02/555160502.db2.gz DPQAWCGHLWJFFB-XCSSDTEYSA-N 0 0 509.599 4.656 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000102935092 555162469 /nfs/dbraw/zinc/16/24/69/555162469.db2.gz IJWVXTHDMAYPKD-JBCNATCCSA-N 0 0 522.579 4.580 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000102935093 555162445 /nfs/dbraw/zinc/16/24/45/555162445.db2.gz IJWVXTHDMAYPKD-MRJHHRETSA-N 0 0 522.579 4.580 50 30 KJEARN CN=C(Nc1sc(C(=O)OC)cc1[P@@](=O)(Nc1ccc(Br)cc1)N1CCOCC1)c1ccccc1 ZINC000102936495 555164217 /nfs/dbraw/zinc/16/42/17/555164217.db2.gz YREKTACWWUMMJV-UUWRZZSWSA-N 0 0 577.441 4.858 50 30 KJEARN CN=C(Nc1sc(C(=O)OC)cc1[P@](=O)(Nc1ccc(Br)cc1)N1CCOCC1)c1ccccc1 ZINC000102936497 555164256 /nfs/dbraw/zinc/16/42/56/555164256.db2.gz YREKTACWWUMMJV-UMSFTDKQSA-N 0 0 577.441 4.858 50 30 KJEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCN(/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)CC1)c1cccs1 ZINC000102937254 1066514623 /nfs/dbraw/zinc/51/46/23/1066514623.db2.gz GQIIXIIJMHZNBN-CMFFYZNBSA-N 0 0 598.797 4.789 50 30 KJEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCN(/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)CC1)c1cccs1 ZINC000102937262 555165245 /nfs/dbraw/zinc/16/52/45/555165245.db2.gz GQIIXIIJMHZNBN-TUUFZWAFSA-N 0 0 598.797 4.789 50 30 KJEARN COc1ccc(NS(=O)(=O)c2cc(NC(=NS(=O)(=O)c3cccs3)c3ccccc3)ccc2N2CCOCC2)cc1 ZINC000102937505 555165515 /nfs/dbraw/zinc/16/55/15/555165515.db2.gz NITIDBBWLLITKI-UHFFFAOYSA-N 0 0 612.755 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ZINC000103408276 555393736 /nfs/dbraw/zinc/39/37/36/555393736.db2.gz RHGNYWBDWNEBRD-AREMUKBSSA-N 0 0 502.640 4.752 50 30 KJEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCc3ccccn3)N2[C@H]1c1cc(C)ccc1C ZINC000103408279 555393689 /nfs/dbraw/zinc/39/36/89/555393689.db2.gz RHGNYWBDWNEBRD-SANMLTNESA-N 0 0 502.640 4.752 50 30 KJEARN O=[N+]([O-])c1ccc(Oc2cccc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c2)c([N+](=O)[O-])c1 ZINC000103428279 555410598 /nfs/dbraw/zinc/41/05/98/555410598.db2.gz YQODQMWPDPCCIB-IMRQLAEWSA-N 0 0 547.576 4.907 50 30 KJEARN CN(Cc1ccccc1)c1nc2c(c(Oc3ccc(F)cc3)n1)CN(S(=O)(=O)c1ccccc1C#N)CC2 ZINC000103431865 555413522 /nfs/dbraw/zinc/41/35/22/555413522.db2.gz IWLSZOXXTDVXDJ-UHFFFAOYSA-N 0 0 529.597 4.663 50 30 KJEARN CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2C#N)C1 ZINC000103438705 555418819 /nfs/dbraw/zinc/41/88/19/555418819.db2.gz PJRPKDSYHFPSHT-CHQSNSNVSA-N 0 0 532.559 4.868 50 30 KJEARN CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2C#N)C1 ZINC000103438707 555418823 /nfs/dbraw/zinc/41/88/23/555418823.db2.gz PJRPKDSYHFPSHT-AALWMKDKSA-N 0 0 532.559 4.868 50 30 KJEARN Cc1nn(CCC#N)c2c1[P@](=O)(Nc1ccc([N+](=O)[O-])cc1Br)N(C)C(c1ccccc1F)=N2 ZINC000103446916 555420187 /nfs/dbraw/zinc/42/01/87/555420187.db2.gz OXXHBSZOQLAKAT-UMSFTDKQSA-N 0 0 546.297 4.869 50 30 KJEARN Cc1nn(CCC#N)c2c1[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1Br)N(C)C(c1ccccc1F)=N2 ZINC000103446917 555420092 /nfs/dbraw/zinc/42/00/92/555420092.db2.gz OXXHBSZOQLAKAT-UUWRZZSWSA-N 0 0 546.297 4.869 50 30 KJEARN Cc1nn(CCC#N)c2c1[P@](=O)(Nc1ccc([N+](=O)[O-])cc1Br)N(C)C(c1ccc(F)cc1)=N2 ZINC000103446930 555420179 /nfs/dbraw/zinc/42/01/79/555420179.db2.gz ABJOBYHWRKHNFD-UMSFTDKQSA-N 0 0 546.297 4.869 50 30 KJEARN Cc1nn(CCC#N)c2c1[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1Br)N(C)C(c1ccc(F)cc1)=N2 ZINC000103446932 555420480 /nfs/dbraw/zinc/42/04/80/555420480.db2.gz ABJOBYHWRKHNFD-UUWRZZSWSA-N 0 0 546.297 4.869 50 30 KJEARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103512614 555422267 /nfs/dbraw/zinc/42/22/67/555422267.db2.gz DQQVYCFENVLXHV-KEVKATSASA-N 0 0 526.951 4.857 50 30 KJEARN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103526524 555428699 /nfs/dbraw/zinc/42/86/99/555428699.db2.gz RGLJPLOSORMVDC-KEVKATSASA-N 0 0 526.951 4.857 50 30 KJEARN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103540440 555438105 /nfs/dbraw/zinc/43/81/05/555438105.db2.gz PDKSISDXLDTXHJ-KEVKATSASA-N 0 0 553.958 4.626 50 30 KJEARN O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000103540560 555438021 /nfs/dbraw/zinc/43/80/21/555438021.db2.gz BYNUOZWWDPQLIV-KEVKATSASA-N 0 0 571.402 4.966 50 30 KJEARN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103547335 555441695 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CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C ZINC000103614437 555456200 /nfs/dbraw/zinc/45/62/00/555456200.db2.gz MXFFURTWYFTCHY-OETJPTMFSA-N 0 0 503.427 4.986 50 30 KJEARN CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C ZINC000103614439 555456194 /nfs/dbraw/zinc/45/61/94/555456194.db2.gz MXFFURTWYFTCHY-QLZSYIJGSA-N 0 0 503.427 4.986 50 30 KJEARN C#CCOc1c(Br)cc(/C=C2\S/C(=N\c3cccc(C(=O)OCCC)c3)NC2=O)cc1OC ZINC000103646494 555460779 /nfs/dbraw/zinc/46/07/79/555460779.db2.gz RYRCTGINGUWBHH-MOSHPQCFSA-N 0 0 529.412 4.928 50 30 KJEARN C#CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OCC ZINC000103681912 555462185 /nfs/dbraw/zinc/46/21/85/555462185.db2.gz SUQDMGIEXVPANA-XKZIYDEJSA-N 0 0 559.438 4.934 50 30 KJEARN O=C(Cn1cc(/C=C2\S/C(=N/C3CCCC3)N(C3CCCC3)C2=O)c2ccccc21)N1CCOCC1 ZINC000103686211 555462432 /nfs/dbraw/zinc/46/24/32/555462432.db2.gz FSGXYIRWZKDHOA-JLYGMLMHSA-N 0 0 506.672 4.658 50 30 KJEARN O=C(Cn1cc(/C=C2/S/C(=N/C3CCCC3)N(C3CCCC3)C2=O)c2ccccc21)N1CCOCC1 ZINC000103686217 555462401 /nfs/dbraw/zinc/46/24/01/555462401.db2.gz FSGXYIRWZKDHOA-FIDUNROLSA-N 0 0 506.672 4.658 50 30 KJEARN C#CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1OC ZINC000103694996 555463639 /nfs/dbraw/zinc/46/36/39/555463639.db2.gz CNTAYJYWVFFPPY-GXHLCREISA-N 0 0 583.787 4.930 50 30 KJEARN C#CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000103695450 555463613 /nfs/dbraw/zinc/46/36/13/555463613.db2.gz VOTITQJGDNVWGO-WQRHYEAKSA-N 0 0 523.323 4.687 50 30 KJEARN Cc1cc(I)ccc1/N=C1/c2ccccc2N(CN2CCN(c3ccccc3F)CC2)C1=O ZINC000103695558 555463598 /nfs/dbraw/zinc/46/35/98/555463598.db2.gz WZGJKTBAHRVVIK-GNVQSUKOSA-N 0 0 554.407 4.986 50 30 KJEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)c(Cl)cc2OC)S/C1=N\c1cc([N+](=O)[O-])ccc1C ZINC000103715648 555464919 /nfs/dbraw/zinc/46/49/19/555464919.db2.gz KOZPWDSKIWINOV-UOODYVSWSA-N 0 0 518.979 4.720 50 30 KJEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)c(Cl)cc2OC)S/C1=N\c1cc([N+](=O)[O-])ccc1C ZINC000103715651 555464912 /nfs/dbraw/zinc/46/49/12/555464912.db2.gz KOZPWDSKIWINOV-HZYJKNPPSA-N 0 0 518.979 4.720 50 30 KJEARN C=CCOc1c(I)cc(I)cc1/C=C\c1onc(C)c1[N+](=O)[O-] ZINC000103731285 555465578 /nfs/dbraw/zinc/46/55/78/555465578.db2.gz REXJHVRTOBWROX-PLNGDYQASA-N 0 0 538.079 4.836 50 30 KJEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000103784828 555477296 /nfs/dbraw/zinc/47/72/96/555477296.db2.gz HXPBOVXSVNROBL-MSXFZWOLSA-N 0 0 544.318 4.738 50 30 KJEARN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000103790498 1066516789 /nfs/dbraw/zinc/51/67/89/1066516789.db2.gz ILICOMZEZYIMSN-CMISJSSVSA-N 0 0 546.689 4.755 50 30 KJEARN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000103790503 1066516709 /nfs/dbraw/zinc/51/67/09/1066516709.db2.gz ILICOMZEZYIMSN-DBXPASCUSA-N 0 0 546.689 4.755 50 30 KJEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)C1=O ZINC000103846789 571363591 /nfs/dbraw/zinc/36/35/91/571363591.db2.gz XKOIDBBFADYDDA-OEAKJJBVSA-N 0 0 596.503 4.806 50 30 KJEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O ZINC000103846842 571363541 /nfs/dbraw/zinc/36/35/41/571363541.db2.gz FFISPKHWANOTSZ-XQNSMLJCSA-N 0 0 501.608 4.807 50 30 KJEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O ZINC000103846852 571363546 /nfs/dbraw/zinc/36/35/46/571363546.db2.gz SFGJNCGQZZULAX-HZHRSRAPSA-N 0 0 552.052 4.697 50 30 KJEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C1=O ZINC000103846870 571363575 /nfs/dbraw/zinc/36/35/75/571363575.db2.gz YXCONIWPCSUBRD-IBUSPFOHSA-N 0 0 545.661 4.789 50 30 KJEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C1=O ZINC000103846876 571363600 /nfs/dbraw/zinc/36/36/00/571363600.db2.gz YXCONIWPCSUBRD-BHSKHCGUSA-N 0 0 545.661 4.789 50 30 KJEARN C#CCOc1ccc(Br)cc1/C=C1/SC(NC(=O)c2ccccc2Cl)=C(C(=O)OCC)C1=O ZINC000103848734 571363975 /nfs/dbraw/zinc/36/39/75/571363975.db2.gz XVRGAZJRNDYKBS-CPNJWEJPSA-N 0 0 546.826 4.976 50 30 KJEARN C#CCOc1c(I)cc(/C=C2/SC(NC(=O)c3ccc(C)cc3)=C(C(=O)OCC)C2=O)cc1OCC ZINC000103849143 571363983 /nfs/dbraw/zinc/36/39/83/571363983.db2.gz ISALFXSLGNJNBU-RCCKNPSSSA-N 0 0 617.461 4.872 50 30 KJEARN C#CCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)C1=O ZINC000103849847 571364351 /nfs/dbraw/zinc/36/43/51/571364351.db2.gz WYFYTLDENOQRTJ-NDENLUEZSA-N 0 0 544.370 4.810 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000103928943 571370065 /nfs/dbraw/zinc/37/00/65/571370065.db2.gz MSSBIXLHRJLXTN-JBCNATCCSA-N 0 0 506.580 4.880 50 30 KJEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000103928947 571370083 /nfs/dbraw/zinc/37/00/83/571370083.db2.gz MSSBIXLHRJLXTN-MRJHHRETSA-N 0 0 506.580 4.880 50 30 KJEARN 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KJEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103929755 571370098 /nfs/dbraw/zinc/37/00/98/571370098.db2.gz SCIPLUAQLMLVLX-NPJIAGGLSA-N 0 0 527.614 4.514 50 30 KJEARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000103993376 571370827 /nfs/dbraw/zinc/37/08/27/571370827.db2.gz RZCRIPGWOLRUCK-WSEBHVOGSA-N 0 0 583.984 4.635 50 30 KJEARN N=C1OC(CCc2ccccc2)=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104161936 571375808 /nfs/dbraw/zinc/37/58/08/571375808.db2.gz HFOOXUHBBMGUFB-YKQVPMKMSA-N 0 0 575.454 4.645 50 30 KJEARN N=C1OC(CCc2ccccc2)=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104161943 571375821 /nfs/dbraw/zinc/37/58/21/571375821.db2.gz HFOOXUHBBMGUFB-KRSWDJRXSA-N 0 0 575.454 4.645 50 30 KJEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000104199605 571376760 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COc1cc(C=NN2C(=O)CSC2=S)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000252620752 572269494 /nfs/dbraw/zinc/26/94/94/572269494.db2.gz MLMXZHQJFSCLRS-UHFFFAOYSA-N 0 0 515.838 4.763 50 30 KJEARN Oc1ccc(I)cc1CN=Nc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1 ZINC000252620946 572269488 /nfs/dbraw/zinc/26/94/88/572269488.db2.gz MPRSFMSBBSUNIU-UHFFFAOYSA-N 0 0 537.365 4.984 50 30 KJEARN O=S(=O)(NN=Cc1ccc(COc2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1 ZINC000252621351 572269496 /nfs/dbraw/zinc/26/94/96/572269496.db2.gz MWIAKKBLSVGJLN-UHFFFAOYSA-N 0 0 503.296 4.952 50 30 KJEARN CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])C1=Nc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C ZINC000252621381 572269462 /nfs/dbraw/zinc/26/94/62/572269462.db2.gz MXFFURTWYFTCHY-NRFANRHFSA-N 0 0 503.427 4.986 50 30 KJEARN CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])C1=Nc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C ZINC000252621382 572269516 /nfs/dbraw/zinc/26/95/16/572269516.db2.gz MXFFURTWYFTCHY-OAQYLSRUSA-N 0 0 503.427 4.986 50 30 KJEARN 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/nfs/dbraw/zinc/27/05/89/572270589.db2.gz QSLDJRZLVSZRLA-UHFFFAOYSA-N 0 0 520.391 4.920 50 30 KJEARN Cc1cc(C(=O)Oc2ccc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)ccc1[N+](=O)[O-] ZINC000252626633 572270667 /nfs/dbraw/zinc/27/06/67/572270667.db2.gz RCJSCTQOWDRXDE-UHFFFAOYSA-N 0 0 544.616 4.734 50 30 KJEARN CCN1C(=O)/C(=C\c2cc(I)c(O)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000252627454 572270802 /nfs/dbraw/zinc/27/08/02/572270802.db2.gz RUOITXLKNASMMN-BNCGLULESA-N 0 0 510.353 4.638 50 30 KJEARN CCN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000252627455 572270773 /nfs/dbraw/zinc/27/07/73/572270773.db2.gz RUOITXLKNASMMN-GNYMFXGWSA-N 0 0 510.353 4.638 50 30 KJEARN CC[C@@H]1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000252628059 572270935 /nfs/dbraw/zinc/27/09/35/572270935.db2.gz SHKDVDUCLLGRMR-INIZCTEOSA-N 0 0 575.304 4.619 50 30 KJEARN CC[C@H]1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000252628060 572270930 /nfs/dbraw/zinc/27/09/30/572270930.db2.gz SHKDVDUCLLGRMR-MRXNPFEDSA-N 0 0 575.304 4.619 50 30 KJEARN Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2cccc3ccccc32)nc(N2CCOCC2)n1 ZINC000252628126 572270905 /nfs/dbraw/zinc/27/09/05/572270905.db2.gz SINMVHNXSSRVNR-UHFFFAOYSA-N 0 0 693.287 4.966 50 30 KJEARN CCN1C(=O)/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000252628192 572270897 /nfs/dbraw/zinc/27/08/97/572270897.db2.gz SKJNYNLWJAYONR-ZQWONFHDSA-N 0 0 522.671 4.765 50 30 KJEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(I)c1OCCOc1ccccc1C ZINC000252628220 572270950 /nfs/dbraw/zinc/27/09/50/572270950.db2.gz SLFGBDZMBFRHKV-UHFFFAOYSA-N 0 0 643.530 4.897 50 30 KJEARN Cc1cccc(Nc2nc(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCC(C)CC3)[nH]2)c1C ZINC000252628359 572270923 /nfs/dbraw/zinc/27/09/23/572270923.db2.gz SOJHGJUATWUVGA-UHFFFAOYSA-N 0 0 504.551 4.551 50 30 KJEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCCOc1ccccc1C ZINC000252628482 572270891 /nfs/dbraw/zinc/27/08/91/572270891.db2.gz SRGLDXYHNSSXBH-UHFFFAOYSA-N 0 0 516.646 4.898 50 30 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