smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1 ZINC000043307393 562647491 /nfs/dbraw/zinc/64/74/91/562647491.db2.gz KMZKBAUYXRNDIT-UHFFFAOYSA-N 1 1 540.021 3.164 40 70 KGIBMO Cc1cc(NC(=O)NCCCOc2ccc(N3C(=[NH2+])NC(=N)NC3(C)C)cc2Cl)ccc1S(=O)(=O)F ZINC000043307605 562647567 /nfs/dbraw/zinc/64/75/67/562647567.db2.gz IZKGWENSMDIUFX-UHFFFAOYSA-N 1 1 540.021 3.083 40 70 KGIBMO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1 ZINC000216797597 571597849 /nfs/dbraw/zinc/59/78/49/571597849.db2.gz LPOXOBWFXYZMST-UHFFFAOYSA-N 1 1 520.655 3.212 40 70 KGIBMO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216797783 571597825 /nfs/dbraw/zinc/59/78/25/571597825.db2.gz XPOGRPBHRALQLE-UHFFFAOYSA-N 1 1 534.682 3.255 40 70 KGIBMO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCCCC2)cc1 ZINC000216797976 571597939 /nfs/dbraw/zinc/59/79/39/571597939.db2.gz QPHCUVHKMJHXSQ-UHFFFAOYSA-N 1 1 512.676 3.345 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000216799874 571598045 /nfs/dbraw/zinc/59/80/45/571598045.db2.gz GDXXRQISLMVDRP-UHFFFAOYSA-N 1 1 524.618 3.043 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000216800049 571598053 /nfs/dbraw/zinc/59/80/53/571598053.db2.gz ZXJRUUJHGONXGN-UHFFFAOYSA-N 1 1 516.639 3.175 40 70 KGIBMO COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCCCC2)cc1OC ZINC000216801142 571597966 /nfs/dbraw/zinc/59/79/66/571597966.db2.gz UQBAVPCDYJCRDE-UHFFFAOYSA-N 1 1 558.701 3.054 40 70 KGIBMO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2F)cc1 ZINC000216803397 571598273 /nfs/dbraw/zinc/59/82/73/571598273.db2.gz LHOBCOBYERGRFI-UHFFFAOYSA-N 1 1 538.645 3.351 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000216804486 571598249 /nfs/dbraw/zinc/59/82/49/571598249.db2.gz QUNPDSBRDBYZNL-UHFFFAOYSA-N 1 1 524.618 3.043 40 70 KGIBMO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)Cc2ccc(F)cc2)cc1 ZINC000216804689 571598259 /nfs/dbraw/zinc/59/82/59/571598259.db2.gz WOHPMTDSTSWRIV-UHFFFAOYSA-N 1 1 538.645 3.351 40 70 KGIBMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)Cc1ccccc1 ZINC000216809868 571598568 /nfs/dbraw/zinc/59/85/68/571598568.db2.gz XXBMRCZHKDYRMD-UHFFFAOYSA-N 1 1 550.681 3.221 40 70 KGIBMO COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1C ZINC000216810042 571598403 /nfs/dbraw/zinc/59/84/03/571598403.db2.gz WNDZGOIGUGIXEC-UHFFFAOYSA-N 1 1 550.681 3.221 40 70 KGIBMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000216810930 571598555 /nfs/dbraw/zinc/59/85/55/571598555.db2.gz HPKLYJMXVRFGBQ-UHFFFAOYSA-N 1 1 536.654 3.225 40 70 KGIBMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216811971 571598574 /nfs/dbraw/zinc/59/85/74/571598574.db2.gz QETSXVRQULIXMF-UHFFFAOYSA-N 1 1 564.708 3.263 40 70 KGIBMO CCN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000216812481 571598408 /nfs/dbraw/zinc/59/84/08/571598408.db2.gz JQQBWTOZWJOMEH-UHFFFAOYSA-N 1 1 513.447 3.030 40 70 KGIBMO COc1ccc(N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000216813006 571598530 /nfs/dbraw/zinc/59/85/30/571598530.db2.gz DJMTWVOSQNWZEJ-UHFFFAOYSA-N 1 1 566.680 3.234 40 70 KGIBMO COc1cccc(N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000216813505 571598785 /nfs/dbraw/zinc/59/87/85/571598785.db2.gz QQXPSRGUURSZGI-UHFFFAOYSA-N 1 1 566.680 3.234 40 70 KGIBMO CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CCCCC2)cc1 ZINC000216814729 571598782 /nfs/dbraw/zinc/59/87/82/571598782.db2.gz JDHBRIHNVIWSIS-UHFFFAOYSA-N 1 1 542.702 3.435 40 70 KGIBMO CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1 ZINC000216814907 571598720 /nfs/dbraw/zinc/59/87/20/571598720.db2.gz AXLZRYIIKXLWJC-UHFFFAOYSA-N 1 1 550.681 3.303 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216818956 571598960 /nfs/dbraw/zinc/59/89/60/571598960.db2.gz ONPIMJAMAKTHDB-RUZDIDTESA-N 1 1 541.073 3.256 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216818992 571599110 /nfs/dbraw/zinc/59/91/10/571599110.db2.gz ONPIMJAMAKTHDB-VWLOTQADSA-N 1 1 541.073 3.256 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216819216 571599104 /nfs/dbraw/zinc/59/91/04/571599104.db2.gz VPXHXVFJSGNNRY-RUZDIDTESA-N 1 1 585.524 3.365 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216819256 571599059 /nfs/dbraw/zinc/59/90/59/571599059.db2.gz VPXHXVFJSGNNRY-VWLOTQADSA-N 1 1 585.524 3.365 40 70 KGIBMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216820262 571598909 /nfs/dbraw/zinc/59/89/09/571598909.db2.gz RXZHKQILKKRAFA-VWLOTQADSA-N 1 1 571.099 3.265 40 70 KGIBMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216820295 571599029 /nfs/dbraw/zinc/59/90/29/571599029.db2.gz RXZHKQILKKRAFA-RUZDIDTESA-N 1 1 571.099 3.265 40 70 KGIBMO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216821302 571599050 /nfs/dbraw/zinc/59/90/50/571599050.db2.gz OESDUICNCHGTGS-DEOSSOPVSA-N 1 1 571.099 3.265 40 70 KGIBMO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216821341 571599062 /nfs/dbraw/zinc/59/90/62/571599062.db2.gz OESDUICNCHGTGS-XMMPIXPASA-N 1 1 571.099 3.265 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cc2)CC1 ZINC000216822286 571599325 /nfs/dbraw/zinc/59/93/25/571599325.db2.gz SHRXDYDRDGFVAR-UHFFFAOYSA-N 1 1 539.485 3.420 40 70 KGIBMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)CC2)c(C)c1 ZINC000216822394 571599252 /nfs/dbraw/zinc/59/92/52/571599252.db2.gz QOCLBIMTHWWZAI-UHFFFAOYSA-N 1 1 512.676 3.039 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4Cl)C3)cc2)CC1 ZINC000216824888 571599246 /nfs/dbraw/zinc/59/92/46/571599246.db2.gz UNCZNOHPZOWKOX-GOSISDBHSA-N 1 1 539.485 3.420 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4Cl)C3)cc2)CC1 ZINC000216824926 571599341 /nfs/dbraw/zinc/59/93/41/571599341.db2.gz UNCZNOHPZOWKOX-SFHVURJKSA-N 1 1 539.485 3.420 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)cc2)CC1 ZINC000216825415 571599569 /nfs/dbraw/zinc/59/95/69/571599569.db2.gz RSFMJOZPCFEUOZ-XMMPIXPASA-N 1 1 520.655 3.267 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)cc2)CC1 ZINC000216825448 571599437 /nfs/dbraw/zinc/59/94/37/571599437.db2.gz RSFMJOZPCFEUOZ-DEOSSOPVSA-N 1 1 520.655 3.267 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)CC1 ZINC000216825613 571599427 /nfs/dbraw/zinc/59/94/27/571599427.db2.gz IQNPENHWYNDQSZ-UHFFFAOYSA-N 1 1 520.655 3.267 40 70 KGIBMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2)c(C)c1 ZINC000216825803 571599603 /nfs/dbraw/zinc/59/96/03/571599603.db2.gz KXXCELJWMPFEEO-HSZRJFAPSA-N 1 1 512.676 3.039 40 70 KGIBMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2)c(C)c1 ZINC000216825843 571599453 /nfs/dbraw/zinc/59/94/53/571599453.db2.gz KXXCELJWMPFEEO-QHCPKHFHSA-N 1 1 512.676 3.039 40 70 KGIBMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000216826846 571599518 /nfs/dbraw/zinc/59/95/18/571599518.db2.gz REHQEKCQSZDKCA-UHFFFAOYSA-N 1 1 549.093 3.166 40 70 KGIBMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1Cl ZINC000216827938 571599547 /nfs/dbraw/zinc/59/95/47/571599547.db2.gz XFKSXRHAHQWWBV-UHFFFAOYSA-N 1 1 549.093 3.166 40 70 KGIBMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2)cc1Cl ZINC000216828135 571599411 /nfs/dbraw/zinc/59/94/11/571599411.db2.gz OPWIXBYXBDUVDQ-HXUWFJFHSA-N 1 1 549.093 3.166 40 70 KGIBMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C2)cc1Cl ZINC000216828173 571599496 /nfs/dbraw/zinc/59/94/96/571599496.db2.gz OPWIXBYXBDUVDQ-FQEVSTJZSA-N 1 1 549.093 3.166 40 70 KGIBMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216828401 571599524 /nfs/dbraw/zinc/59/95/24/571599524.db2.gz DDUWMQBEBRFCGB-HXUWFJFHSA-N 1 1 549.093 3.166 40 70 KGIBMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216828436 571599593 /nfs/dbraw/zinc/59/95/93/571599593.db2.gz DDUWMQBEBRFCGB-FQEVSTJZSA-N 1 1 549.093 3.166 40 70 KGIBMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000216828683 571599843 /nfs/dbraw/zinc/59/98/43/571599843.db2.gz HHMDXVRDCMTUND-UHFFFAOYSA-N 1 1 542.702 3.246 40 70 KGIBMO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1)c1ccccc1 ZINC000216829995 571599767 /nfs/dbraw/zinc/59/97/67/571599767.db2.gz ZFQWPQSHQMQWHZ-OAQYLSRUSA-N 1 1 536.654 3.131 40 70 KGIBMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1)c1ccccc1 ZINC000216830031 571599758 /nfs/dbraw/zinc/59/97/58/571599758.db2.gz ZFQWPQSHQMQWHZ-NRFANRHFSA-N 1 1 536.654 3.131 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1 ZINC000216832659 571599802 /nfs/dbraw/zinc/59/98/02/571599802.db2.gz CIPFQBWIYVSANK-UHFFFAOYSA-N 1 1 548.665 3.233 40 70 KGIBMO Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216835154 571599950 /nfs/dbraw/zinc/59/99/50/571599950.db2.gz HGTDUYXXDNXIPL-UHFFFAOYSA-N 1 1 528.675 3.011 40 70 KGIBMO Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216835730 571599942 /nfs/dbraw/zinc/59/99/42/571599942.db2.gz WNTALMZCXDNKOO-UHFFFAOYSA-N 1 1 548.665 3.152 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3Cl)cc2)CC1 ZINC000216837477 571600286 /nfs/dbraw/zinc/60/02/86/571600286.db2.gz LUUOACSBQFGQNO-UHFFFAOYSA-N 1 1 569.083 3.497 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1 ZINC000216839285 571600366 /nfs/dbraw/zinc/60/03/66/571600366.db2.gz VJYYLINLOJPCMK-UHFFFAOYSA-N 1 1 512.676 3.257 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)cc2)CC1 ZINC000216839653 571600362 /nfs/dbraw/zinc/60/03/62/571600362.db2.gz PXPYMCSLWBGLSX-UHFFFAOYSA-N 1 1 534.682 3.167 40 70 KGIBMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NCc4ccccc4)cc3)cc2)CC1 ZINC000216839786 571600271 /nfs/dbraw/zinc/60/02/71/571600271.db2.gz UPRNRWWNXJEVMC-UHFFFAOYSA-N 1 1 520.655 3.124 40 70 KGIBMO CN1C(=O)N(C)C(=O)C(Cc2ccc(OCc3ccccc3)cc2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000217368101 571601039 /nfs/dbraw/zinc/60/10/39/571601039.db2.gz UVIVOVUPOFIBTL-LOSJGSFVSA-N 1 1 554.647 3.126 40 70 KGIBMO CCOc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000217373911 571601256 /nfs/dbraw/zinc/60/12/56/571601256.db2.gz HHGLGWBDWWOZDR-INEJIFKHSA-N 1 1 540.620 3.178 40 70 KGIBMO CCOc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000217374000 571601226 /nfs/dbraw/zinc/60/12/26/571601226.db2.gz HHGLGWBDWWOZDR-LWPQGVMLSA-N 1 1 540.620 3.178 40 70 KGIBMO CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374299 571601191 /nfs/dbraw/zinc/60/11/91/571601191.db2.gz BPRFFUXYKBBLED-LOTJKCTMSA-N 1 1 584.673 3.359 40 70 KGIBMO CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374386 571601090 /nfs/dbraw/zinc/60/10/90/571601090.db2.gz BPRFFUXYKBBLED-BCWKHWSNSA-N 1 1 584.673 3.359 40 70 KGIBMO CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374843 571601182 /nfs/dbraw/zinc/60/11/82/571601182.db2.gz AOXXHWWAXWKIAF-JOUUIMRQSA-N 1 1 554.647 3.351 40 70 KGIBMO CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374927 571601211 /nfs/dbraw/zinc/60/12/11/571601211.db2.gz AOXXHWWAXWKIAF-XNSHOJTPSA-N 1 1 554.647 3.351 40 70 KGIBMO CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217375725 571601049 /nfs/dbraw/zinc/60/10/49/571601049.db2.gz RHWYEWRRYRPZHW-FONBTEPMSA-N 1 1 530.650 3.403 40 70 KGIBMO COc1cc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000217406768 571601403 /nfs/dbraw/zinc/60/14/03/571601403.db2.gz JLKNPYIKONMMPV-BJKOFHAPSA-N 1 1 602.663 3.274 40 70 KGIBMO COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218071173 571603254 /nfs/dbraw/zinc/60/32/54/571603254.db2.gz FQRDMIHLNOHKGK-QTGUNEKASA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218071173 571603252 /nfs/dbraw/zinc/60/32/52/571603252.db2.gz FQRDMIHLNOHKGK-QTGUNEKASA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218071244 571603213 /nfs/dbraw/zinc/60/32/13/571603213.db2.gz FQRDMIHLNOHKGK-ZEYPLWLESA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218071244 571603212 /nfs/dbraw/zinc/60/32/12/571603212.db2.gz FQRDMIHLNOHKGK-ZEYPLWLESA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218109138 571603452 /nfs/dbraw/zinc/60/34/52/571603452.db2.gz PSNCRDCFMYDXKM-YYDVJCTNSA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218109138 571603450 /nfs/dbraw/zinc/60/34/50/571603450.db2.gz PSNCRDCFMYDXKM-YYDVJCTNSA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@H](c1ccnc2ccccc21)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218109222 571603468 /nfs/dbraw/zinc/60/34/68/571603468.db2.gz PSNCRDCFMYDXKM-YCRNBWNJSA-N 1 1 527.577 3.370 40 70 KGIBMO COC(=O)C[C@H](c1ccnc2ccccc21)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000218109222 571603465 /nfs/dbraw/zinc/60/34/65/571603465.db2.gz PSNCRDCFMYDXKM-YCRNBWNJSA-N 1 1 527.577 3.370 40 70 KGIBMO