smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000216798578 571597942 /nfs/dbraw/zinc/59/79/42/571597942.db2.gz CCALJTKYINAHKV-UHFFFAOYSA-N 1 2 591.155 3.414 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216798881 571598075 /nfs/dbraw/zinc/59/80/75/571598075.db2.gz FDNYJPAFPPCXAZ-UHFFFAOYSA-N 1 2 577.128 3.106 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216799049 571597970 /nfs/dbraw/zinc/59/79/70/571597970.db2.gz ZFNGFWBIZYIMLU-UHFFFAOYSA-N 1 2 591.155 3.148 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216799411 571597956 /nfs/dbraw/zinc/59/79/56/571597956.db2.gz JAXIDJFABXQIOM-UHFFFAOYSA-N 1 2 621.579 3.215 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216799584 571598055 /nfs/dbraw/zinc/59/80/55/571598055.db2.gz IOFOALSJSWPZJW-UHFFFAOYSA-N 1 2 635.606 3.257 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216799753 571597935 /nfs/dbraw/zinc/59/79/35/571597935.db2.gz QYLGVGVJAWPXSK-UHFFFAOYSA-N 1 2 613.600 3.347 40 70 KGIBLO Cc1ccc(CN(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000216801531 571597898 /nfs/dbraw/zinc/59/78/98/571597898.db2.gz OYWXZTPKPHSVBI-UHFFFAOYSA-N 1 2 570.737 3.069 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000216802047 571598051 /nfs/dbraw/zinc/59/80/51/571598051.db2.gz ATAASMSVYOGVMG-UHFFFAOYSA-N 1 2 621.579 3.215 40 70 KGIBLO Cc1ccc(CN(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000216802341 571598061 /nfs/dbraw/zinc/59/80/61/571598061.db2.gz HSWZIOFVKUEJEH-UHFFFAOYSA-N 1 2 591.155 3.414 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216802511 571597985 /nfs/dbraw/zinc/59/79/85/571597985.db2.gz XZFBCFXVIBZIKI-UHFFFAOYSA-N 1 2 595.118 3.245 40 70 KGIBLO Cc1cccc(CN(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000216802687 571598281 /nfs/dbraw/zinc/59/82/81/571598281.db2.gz BHOLWBYVOQXGAU-UHFFFAOYSA-N 1 2 591.155 3.414 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccccc3F)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216803276 571598235 /nfs/dbraw/zinc/59/82/35/571598235.db2.gz IUMRDZHEYRTKAR-UHFFFAOYSA-N 1 2 595.118 3.245 40 70 KGIBLO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2cccc(Cl)c2)cc1 ZINC000216805288 571598221 /nfs/dbraw/zinc/59/82/21/571598221.db2.gz QTHOJMMHBKVNAO-UHFFFAOYSA-N 1 2 591.155 3.414 40 70 KGIBLO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2Cl)cc1 ZINC000216805649 571598225 /nfs/dbraw/zinc/59/82/25/571598225.db2.gz ZVVPCWHMEIZPTA-UHFFFAOYSA-N 1 2 591.155 3.414 40 70 KGIBLO Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2cccc(C)c2)cc1 ZINC000216805833 571598245 /nfs/dbraw/zinc/59/82/45/571598245.db2.gz HNPOCDMUVQDBKJ-UHFFFAOYSA-N 1 2 570.737 3.069 40 70 KGIBLO Cc1ccccc1CN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000216806002 571598237 /nfs/dbraw/zinc/59/82/37/571598237.db2.gz VHFWEFWTNWHVOH-UHFFFAOYSA-N 1 2 591.155 3.414 40 70 KGIBLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)c(C)c1 ZINC000216806347 571598211 /nfs/dbraw/zinc/59/82/11/571598211.db2.gz NWCYXHJFMVANQR-UHFFFAOYSA-N 1 2 584.764 3.378 40 70 KGIBLO Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000216808660 571598389 /nfs/dbraw/zinc/59/83/89/571598389.db2.gz WKBYCVVGCUHHKW-UHFFFAOYSA-N 1 2 598.791 3.420 40 70 KGIBLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC000216811332 571598410 /nfs/dbraw/zinc/59/84/10/571598410.db2.gz DNSNIXFKGMNXRB-UHFFFAOYSA-N 1 2 607.154 3.427 40 70 KGIBLO COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1Cl ZINC000216811526 571598518 /nfs/dbraw/zinc/59/85/18/571598518.db2.gz CMWFWUXKIAIOBB-UHFFFAOYSA-N 1 2 607.154 3.114 40 70 KGIBLO COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C2CCCCC2)cc1Cl ZINC000216811695 571598594 /nfs/dbraw/zinc/59/85/94/571598594.db2.gz UTDNXBXXQYXDJK-UHFFFAOYSA-N 1 2 599.175 3.247 40 70 KGIBLO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216811864 571598584 /nfs/dbraw/zinc/59/85/84/571598584.db2.gz LVCLRNBFDNQJIK-UHFFFAOYSA-N 1 2 621.181 3.157 40 70 KGIBLO COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000216813222 571598789 /nfs/dbraw/zinc/59/87/89/571598789.db2.gz ZTJKGADOUXVWDS-UHFFFAOYSA-N 1 2 637.180 3.436 40 70 KGIBLO CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000216813743 571598728 /nfs/dbraw/zinc/59/87/28/571598728.db2.gz XIPMEDDHFDPVNZ-UHFFFAOYSA-N 1 2 616.762 3.172 40 70 KGIBLO CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1C ZINC000216814096 571598838 /nfs/dbraw/zinc/59/88/38/571598838.db2.gz HKYSQARHCZYXKS-UHFFFAOYSA-N 1 2 600.763 3.159 40 70 KGIBLO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)Cc1ccccc1 ZINC000216815475 571598724 /nfs/dbraw/zinc/59/87/24/571598724.db2.gz ARRLHZBGHJEARC-UHFFFAOYSA-N 1 2 607.154 3.114 40 70 KGIBLO Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000216819835 571599086 /nfs/dbraw/zinc/59/90/86/571599086.db2.gz IZKWJQKROCRTIS-MHZLTWQESA-N 1 2 584.764 3.076 40 70 KGIBLO Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000216819870 571599094 /nfs/dbraw/zinc/59/90/94/571599094.db2.gz IZKWJQKROCRTIS-HHHXNRCGSA-N 1 2 584.764 3.076 40 70 KGIBLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC000216831178 571599785 /nfs/dbraw/zinc/59/97/85/571599785.db2.gz WQVJBMLZEPSJOV-UHFFFAOYSA-N 1 2 522.627 3.201 40 70 KGIBLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1C ZINC000216831517 571599814 /nfs/dbraw/zinc/59/98/14/571599814.db2.gz MCJCUVUPBMHPBR-UHFFFAOYSA-N 1 2 572.709 3.058 40 70 KGIBLO Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216831624 571599730 /nfs/dbraw/zinc/59/97/30/571599730.db2.gz SNGRAITZNYDVNO-UHFFFAOYSA-N 1 2 522.627 3.201 40 70 KGIBLO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)c1 ZINC000216831811 571599762 /nfs/dbraw/zinc/59/97/62/571599762.db2.gz LMZLGKLXVAAFJR-UHFFFAOYSA-N 1 2 572.709 3.058 40 70 KGIBLO Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)c1 ZINC000216831901 571599713 /nfs/dbraw/zinc/59/97/13/571599713.db2.gz QYXPLYKZXJLCRM-UHFFFAOYSA-N 1 2 522.627 3.201 40 70 KGIBLO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)c1 ZINC000216832096 571599824 /nfs/dbraw/zinc/59/98/24/571599824.db2.gz KGBWMFBWXHTBGM-UHFFFAOYSA-N 1 2 572.709 3.058 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000216832398 571599686 /nfs/dbraw/zinc/59/96/86/571599686.db2.gz UVXHDAKZWCIUNG-UHFFFAOYSA-N 1 2 579.100 3.094 40 70 KGIBLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC000216832500 571599704 /nfs/dbraw/zinc/59/97/04/571599704.db2.gz MRMIQTOMNVSBJV-UHFFFAOYSA-N 1 2 552.653 3.291 40 70 KGIBLO C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)CC1 ZINC000216832961 571599933 /nfs/dbraw/zinc/59/99/33/571599933.db2.gz CAQYYKZUHBCLEA-UHFFFAOYSA-N 1 2 526.590 3.032 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)cc2)CC1 ZINC000216833469 571600092 /nfs/dbraw/zinc/60/00/92/571600092.db2.gz GISCBRYVNVNIRZ-UHFFFAOYSA-N 1 2 623.551 3.204 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2)CC1 ZINC000216833620 571600033 /nfs/dbraw/zinc/60/00/33/571600033.db2.gz ZUPNYQFLHWUWHH-UHFFFAOYSA-N 1 2 612.652 3.460 40 70 KGIBLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1Cl ZINC000216833770 571600144 /nfs/dbraw/zinc/60/01/44/571600144.db2.gz KLMYESQRQVPSGK-UHFFFAOYSA-N 1 2 609.126 3.103 40 70 KGIBLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1Cl ZINC000216834062 571599958 /nfs/dbraw/zinc/59/99/58/571599958.db2.gz SJIGUZNHISJHHB-UHFFFAOYSA-N 1 2 593.127 3.403 40 70 KGIBLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c(C)c2)cc1 ZINC000216835061 571600112 /nfs/dbraw/zinc/60/01/12/571600112.db2.gz NFBWCUGHEUUQEK-UHFFFAOYSA-N 1 2 572.709 3.058 40 70 KGIBLO Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216836077 571600084 /nfs/dbraw/zinc/60/00/84/571600084.db2.gz GMHVXWSRJVSNQT-UHFFFAOYSA-N 1 2 598.747 3.090 40 70 KGIBLO Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216836462 571600117 /nfs/dbraw/zinc/60/01/17/571600117.db2.gz KHTCMYAVHYQVSV-UHFFFAOYSA-N 1 2 522.627 3.201 40 70 KGIBLO Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216836659 571599954 /nfs/dbraw/zinc/59/99/54/571599954.db2.gz MOKCQELMFTYSBW-UHFFFAOYSA-N 1 2 593.127 3.403 40 70 KGIBLO Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216836758 571600374 /nfs/dbraw/zinc/60/03/74/571600374.db2.gz JDCSARCTFGTPAC-UHFFFAOYSA-N 1 2 540.617 3.340 40 70 KGIBLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c(C)c2)cc1 ZINC000216836947 571600305 /nfs/dbraw/zinc/60/03/05/571600305.db2.gz UWUJRUGUWPOTNC-UHFFFAOYSA-N 1 2 602.735 3.148 40 70 KGIBLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c(C)c2)cc1C ZINC000216837098 571600380 /nfs/dbraw/zinc/60/03/80/571600380.db2.gz HGGLFZCJLHQHET-UHFFFAOYSA-N 1 2 586.736 3.366 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3Cl)cc2)CC1 ZINC000216837522 571600298 /nfs/dbraw/zinc/60/02/98/571600298.db2.gz WXEGXRPZWQLXCK-UHFFFAOYSA-N 1 2 605.138 3.045 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3Cl)cc2)CC1 ZINC000216838068 571600216 /nfs/dbraw/zinc/60/02/16/571600216.db2.gz WHNKSPRRADVGFN-UHFFFAOYSA-N 1 2 579.100 3.094 40 70 KGIBLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c(Cl)c2)cc1 ZINC000216838490 571600233 /nfs/dbraw/zinc/60/02/33/571600233.db2.gz VJGIVFGUUXJGJN-UHFFFAOYSA-N 1 2 609.126 3.103 40 70 KGIBLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c(Cl)c2)cc1 ZINC000216838916 571600292 /nfs/dbraw/zinc/60/02/92/571600292.db2.gz NQOTZPCLNGMFJX-UHFFFAOYSA-N 1 2 623.153 3.493 40 70 KGIBLO C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1)c1ccccc1 ZINC000216839530 571600383 /nfs/dbraw/zinc/60/03/83/571600383.db2.gz MBZHIWMTAJWZIV-JOCHJYFZSA-N 1 2 570.737 3.234 40 70 KGIBLO C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1)c1ccccc1 ZINC000216839563 571600312 /nfs/dbraw/zinc/60/03/12/571600312.db2.gz MBZHIWMTAJWZIV-QFIPXVFZSA-N 1 2 570.737 3.234 40 70 KGIBLO Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC000216840227 571600295 /nfs/dbraw/zinc/60/02/95/571600295.db2.gz QNYALZXUFVUVHS-UHFFFAOYSA-N 1 2 556.710 3.303 40 70 KGIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1 ZINC000216841074 571600500 /nfs/dbraw/zinc/60/05/00/571600500.db2.gz SRNNWBDRUXXWQA-UHFFFAOYSA-N 1 2 582.748 3.336 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217372622 571601032 /nfs/dbraw/zinc/60/10/32/571601032.db2.gz HILTXDFKPYQKMP-YBBGPBPVSA-N 1 2 568.630 3.071 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217372622 571601030 /nfs/dbraw/zinc/60/10/30/571601030.db2.gz HILTXDFKPYQKMP-YBBGPBPVSA-N 1 2 568.630 3.071 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217372706 571601236 /nfs/dbraw/zinc/60/12/36/571601236.db2.gz HILTXDFKPYQKMP-HWZYRGQPSA-N 1 2 568.630 3.071 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217372706 571601234 /nfs/dbraw/zinc/60/12/34/571601234.db2.gz HILTXDFKPYQKMP-HWZYRGQPSA-N 1 2 568.630 3.071 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217373114 571600977 /nfs/dbraw/zinc/60/09/77/571600977.db2.gz FDXPBVRFVNZVSE-ZMHQMBRKSA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217373114 571600974 /nfs/dbraw/zinc/60/09/74/571600974.db2.gz FDXPBVRFVNZVSE-ZMHQMBRKSA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217373198 571601105 /nfs/dbraw/zinc/60/11/05/571601105.db2.gz FDXPBVRFVNZVSE-VPSFTVEISA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217373198 571601104 /nfs/dbraw/zinc/60/11/04/571601104.db2.gz FDXPBVRFVNZVSE-VPSFTVEISA-N 1 2 584.673 3.359 40 70 KGIBLO CCOc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000217373911 571601259 /nfs/dbraw/zinc/60/12/59/571601259.db2.gz HHGLGWBDWWOZDR-INEJIFKHSA-N 1 2 540.620 3.178 40 70 KGIBLO CCOc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000217373911 571601258 /nfs/dbraw/zinc/60/12/58/571601258.db2.gz HHGLGWBDWWOZDR-INEJIFKHSA-N 1 2 540.620 3.178 40 70 KGIBLO CCOc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000217374000 571601229 /nfs/dbraw/zinc/60/12/29/571601229.db2.gz HHGLGWBDWWOZDR-LWPQGVMLSA-N 1 2 540.620 3.178 40 70 KGIBLO CCOc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000217374000 571601228 /nfs/dbraw/zinc/60/12/28/571601228.db2.gz HHGLGWBDWWOZDR-LWPQGVMLSA-N 1 2 540.620 3.178 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374299 571601196 /nfs/dbraw/zinc/60/11/96/571601196.db2.gz BPRFFUXYKBBLED-LOTJKCTMSA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374299 571601194 /nfs/dbraw/zinc/60/11/94/571601194.db2.gz BPRFFUXYKBBLED-LOTJKCTMSA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374386 571601093 /nfs/dbraw/zinc/60/10/93/571601093.db2.gz BPRFFUXYKBBLED-BCWKHWSNSA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374386 571601091 /nfs/dbraw/zinc/60/10/91/571601091.db2.gz BPRFFUXYKBBLED-BCWKHWSNSA-N 1 2 584.673 3.359 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374843 571601186 /nfs/dbraw/zinc/60/11/86/571601186.db2.gz AOXXHWWAXWKIAF-JOUUIMRQSA-N 1 2 554.647 3.351 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374843 571601184 /nfs/dbraw/zinc/60/11/84/571601184.db2.gz AOXXHWWAXWKIAF-JOUUIMRQSA-N 1 2 554.647 3.351 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374927 571601216 /nfs/dbraw/zinc/60/12/16/571601216.db2.gz AOXXHWWAXWKIAF-XNSHOJTPSA-N 1 2 554.647 3.351 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217374927 571601214 /nfs/dbraw/zinc/60/12/14/571601214.db2.gz AOXXHWWAXWKIAF-XNSHOJTPSA-N 1 2 554.647 3.351 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217375725 571601055 /nfs/dbraw/zinc/60/10/55/571601055.db2.gz RHWYEWRRYRPZHW-FONBTEPMSA-N 1 2 530.650 3.403 40 70 KGIBLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217375725 571601052 /nfs/dbraw/zinc/60/10/52/571601052.db2.gz RHWYEWRRYRPZHW-FONBTEPMSA-N 1 2 530.650 3.403 40 70 KGIBLO CCOc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217407012 571601437 /nfs/dbraw/zinc/60/14/37/571601437.db2.gz LKQXDSSDFXZCGS-YBBGPBPVSA-N 1 2 570.646 3.187 40 70 KGIBLO CCOc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217407012 571601436 /nfs/dbraw/zinc/60/14/36/571601436.db2.gz LKQXDSSDFXZCGS-YBBGPBPVSA-N 1 2 570.646 3.187 40 70 KGIBLO CCOc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217407076 571601441 /nfs/dbraw/zinc/60/14/41/571601441.db2.gz LKQXDSSDFXZCGS-HWZYRGQPSA-N 1 2 570.646 3.187 40 70 KGIBLO CCOc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000217407076 571601440 /nfs/dbraw/zinc/60/14/40/571601440.db2.gz LKQXDSSDFXZCGS-HWZYRGQPSA-N 1 2 570.646 3.187 40 70 KGIBLO