smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCCC1)c(=O)n2C ZINC000514290799 1066205306 /nfs/dbraw/zinc/20/53/06/1066205306.db2.gz AEAOTTKPLPCWRG-UHFFFAOYSA-N 0 0 531.595 -0.307 20 0 KBADRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000514291980 1066205410 /nfs/dbraw/zinc/20/54/10/1066205410.db2.gz IPONYBTWKZJQJC-UHFFFAOYSA-N 0 0 506.541 -0.508 20 0 KBADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc1 ZINC000514294986 1066204808 /nfs/dbraw/zinc/20/48/08/1066204808.db2.gz GMYYLVMEKSVHFV-UHFFFAOYSA-N 0 0 518.552 -0.857 20 0 KBADRN Cn1c2ncn(CC(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c2c(=O)n(C)c1=O ZINC000514295704 1066204796 /nfs/dbraw/zinc/20/47/96/1066204796.db2.gz MKWVGUJQHUPSLA-UHFFFAOYSA-N 0 0 514.486 -0.014 20 0 KBADRN Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1N1CCN(C)CC1)c(=O)n2C ZINC000514296761 1066204664 /nfs/dbraw/zinc/20/46/64/1066204664.db2.gz PKIFCIFFUWBXRV-UHFFFAOYSA-N 0 0 558.665 -0.001 20 0 KBADRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000514297063 1066204635 /nfs/dbraw/zinc/20/46/35/1066204635.db2.gz RMXCPRVFVBZFRZ-UHFFFAOYSA-N 0 0 520.568 -0.120 20 0 KBADRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514297114 1066204584 /nfs/dbraw/zinc/20/45/84/1066204584.db2.gz SEZCULXSAKTKBM-GOSISDBHSA-N 0 0 501.627 -0.208 20 0 KBADRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514297119 1066204650 /nfs/dbraw/zinc/20/46/50/1066204650.db2.gz SEZCULXSAKTKBM-SFHVURJKSA-N 0 0 501.627 -0.208 20 0 KBADRN O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000514298587 1066205444 /nfs/dbraw/zinc/20/54/44/1066205444.db2.gz BJKQCRGPGKHSBS-LLVKDONJSA-N 0 0 529.460 -0.170 20 0 KBADRN O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000514298588 1066205140 /nfs/dbraw/zinc/20/51/40/1066205140.db2.gz BJKQCRGPGKHSBS-NSHDSACASA-N 0 0 529.460 -0.170 20 0 KBADRN CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000514379214 1066205155 /nfs/dbraw/zinc/20/51/55/1066205155.db2.gz POOYVMVJRMTBGG-UHFFFAOYSA-N 0 0 558.665 -0.001 20 0 KBADRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000514380044 1066205337 /nfs/dbraw/zinc/20/53/37/1066205337.db2.gz DHIGQQWTKPRHTC-UHFFFAOYSA-N 0 0 568.721 -0.166 20 0 KBADRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514380604 1066205129 /nfs/dbraw/zinc/20/51/29/1066205129.db2.gz NWKLCMDNMGYLAA-HNNXBMFYSA-N 0 0 509.628 -0.979 20 0 KBADRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514380605 1066205371 /nfs/dbraw/zinc/20/53/71/1066205371.db2.gz NWKLCMDNMGYLAA-OAHLLOKOSA-N 0 0 509.628 -0.979 20 0 KBADRN CCCn1c(N)c(N(CCOC)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c(=O)[nH]c1=O ZINC000514380883 1066205433 /nfs/dbraw/zinc/20/54/33/1066205433.db2.gz XBQLWWKAKOXLQB-UHFFFAOYSA-N 0 0 512.589 -0.187 20 0 KBADRN CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000514381165 1066205325 /nfs/dbraw/zinc/20/53/25/1066205325.db2.gz ZWYAKAJXWJEHFJ-GOSISDBHSA-N 0 0 516.642 -0.420 20 0 KBADRN CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000514381166 1066205115 /nfs/dbraw/zinc/20/51/15/1066205115.db2.gz ZWYAKAJXWJEHFJ-SFHVURJKSA-N 0 0 516.642 -0.420 20 0 KBADRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)c1=O ZINC000514381708 1066207412 /nfs/dbraw/zinc/20/74/12/1066207412.db2.gz OZALEOQFSYTWCX-UHFFFAOYSA-N 0 0 563.658 -0.034 20 0 KBADRN O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000514382868 1066206002 /nfs/dbraw/zinc/20/60/02/1066206002.db2.gz XECHIEBTPAXUCZ-AWEZNQCLSA-N 0 0 523.431 -0.232 20 0 KBADRN O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000514382870 1066205829 /nfs/dbraw/zinc/20/58/29/1066205829.db2.gz XECHIEBTPAXUCZ-CQSZACIVSA-N 0 0 523.431 -0.232 20 0 KBADRN COC(=O)Cc1c(C(=O)OC)sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C(=O)OC ZINC000514383176 1066205354 /nfs/dbraw/zinc/20/53/54/1066205354.db2.gz HGNMZYDJXPRULX-UHFFFAOYSA-N 0 0 507.481 -0.577 20 0 KBADRN CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCN(CCO)CC1 ZINC000514384095 1066205954 /nfs/dbraw/zinc/20/59/54/1066205954.db2.gz LFCJSEJDNBKLKV-FQEVSTJZSA-N 0 0 514.670 -0.305 20 0 KBADRN CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCN(CCO)CC1 ZINC000514384096 1066206057 /nfs/dbraw/zinc/20/60/57/1066206057.db2.gz LFCJSEJDNBKLKV-HXUWFJFHSA-N 0 0 514.670 -0.305 20 0 KBADRN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000514386179 1066205916 /nfs/dbraw/zinc/20/59/16/1066205916.db2.gz GSKJOFHWJJRMKH-UHFFFAOYSA-N 0 0 540.620 -0.207 20 0 KBADRN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 ZINC000514386632 1066205985 /nfs/dbraw/zinc/20/59/85/1066205985.db2.gz WEDCNUFBVGMQQN-UHFFFAOYSA-N 0 0 504.537 -0.090 20 0 KBADRN CC(C)Cn1c(N)c(C(=O)CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(=O)n(C)c1=O ZINC000514386902 1066205931 /nfs/dbraw/zinc/20/59/31/1066205931.db2.gz HYTRRTJEQGJVCV-UHFFFAOYSA-N 0 0 520.612 -0.034 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000514387181 1066206015 /nfs/dbraw/zinc/20/60/15/1066206015.db2.gz KLIUVHZHYBTYEY-GOSISDBHSA-N 0 0 500.643 -0.667 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000514387182 1066206081 /nfs/dbraw/zinc/20/60/81/1066206081.db2.gz KLIUVHZHYBTYEY-SFHVURJKSA-N 0 0 500.643 -0.667 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NCC(=O)NC1CC1 ZINC000514387230 1066206029 /nfs/dbraw/zinc/20/60/29/1066206029.db2.gz LOYNEOVCYBKSEA-UHFFFAOYSA-N 0 0 500.599 -0.217 20 0 KBADRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000514387232 1066205866 /nfs/dbraw/zinc/20/58/66/1066205866.db2.gz DODGJTMESAEOJX-UHFFFAOYSA-N 0 0 578.716 -0.186 20 0 KBADRN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000514387266 1066205992 /nfs/dbraw/zinc/20/59/92/1066205992.db2.gz FHODQNORLICUBC-INIZCTEOSA-N 0 0 502.615 -0.558 20 0 KBADRN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000514387267 1066205844 /nfs/dbraw/zinc/20/58/44/1066205844.db2.gz FHODQNORLICUBC-MRXNPFEDSA-N 0 0 502.615 -0.558 20 0 KBADRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000514387386 1066206097 /nfs/dbraw/zinc/20/60/97/1066206097.db2.gz FMFYUODJFQWXMG-IBGZPJMESA-N 0 0 514.626 -0.416 20 0 KBADRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 ZINC000514387387 1066205879 /nfs/dbraw/zinc/20/58/79/1066205879.db2.gz FMFYUODJFQWXMG-LJQANCHMSA-N 0 0 514.626 -0.416 20 0 KBADRN O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000514387473 1066206444 /nfs/dbraw/zinc/20/64/44/1066206444.db2.gz NELLCSSSSLCFSH-KRWDZBQOSA-N 0 0 506.597 -0.398 20 0 KBADRN O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000514387474 1066206455 /nfs/dbraw/zinc/20/64/55/1066206455.db2.gz NELLCSSSSLCFSH-QGZVFWFLSA-N 0 0 506.597 -0.398 20 0 KBADRN Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(=O)n(C)c1=O ZINC000514388103 1066206523 /nfs/dbraw/zinc/20/65/23/1066206523.db2.gz OVYSKBOKCNFUNY-UHFFFAOYSA-N 0 0 513.417 -0.397 20 0 KBADRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000514388150 1066205856 /nfs/dbraw/zinc/20/58/56/1066205856.db2.gz VQAFAHFNGLZICI-UHFFFAOYSA-N 0 0 523.656 -0.605 20 0 KBADRN CC(C)NC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000514388169 1066205976 /nfs/dbraw/zinc/20/59/76/1066205976.db2.gz VUIDEYLPZBTXGV-UHFFFAOYSA-N 0 0 523.656 -0.177 20 0 KBADRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000514388446 1066206608 /nfs/dbraw/zinc/20/66/08/1066206608.db2.gz YOVCRQYVAGFAKG-KRWDZBQOSA-N 0 0 516.642 -0.847 20 0 KBADRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000514388449 1066206537 /nfs/dbraw/zinc/20/65/37/1066206537.db2.gz YOVCRQYVAGFAKG-QGZVFWFLSA-N 0 0 516.642 -0.847 20 0 KBADRN COCCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 ZINC000514388845 1066206491 /nfs/dbraw/zinc/20/64/91/1066206491.db2.gz SUOZSHXDIVPRPU-UHFFFAOYSA-N 0 0 510.613 -0.219 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000514388881 1066206679 /nfs/dbraw/zinc/20/66/79/1066206679.db2.gz UOTXIJKTXCYXRG-UHFFFAOYSA-N 0 0 505.557 -0.983 20 0 KBADRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000514389438 1066206635 /nfs/dbraw/zinc/20/66/35/1066206635.db2.gz GTYACRGPLOMBFR-UHFFFAOYSA-N 0 0 506.584 -0.049 20 0 KBADRN CC(C)NC(=O)CN1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000514389440 1066206419 /nfs/dbraw/zinc/20/64/19/1066206419.db2.gz GZIVWVYRQGRUKJ-KRWDZBQOSA-N 0 0 511.601 -0.961 20 0 KBADRN CC(C)NC(=O)CN1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000514389442 1066206694 /nfs/dbraw/zinc/20/66/94/1066206694.db2.gz GZIVWVYRQGRUKJ-QGZVFWFLSA-N 0 0 511.601 -0.961 20 0 KBADRN CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O ZINC000514389951 1066206483 /nfs/dbraw/zinc/20/64/83/1066206483.db2.gz SNOGMJNZDRJWGO-LLVKDONJSA-N 0 0 513.019 -0.411 20 0 KBADRN CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O ZINC000514389952 1066206411 /nfs/dbraw/zinc/20/64/11/1066206411.db2.gz SNOGMJNZDRJWGO-NSHDSACASA-N 0 0 513.019 -0.411 20 0 KBADRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000514390037 1066206563 /nfs/dbraw/zinc/20/65/63/1066206563.db2.gz VVGZONBUMPXCFG-UHFFFAOYSA-N 0 0 502.615 -0.591 20 0 KBADRN O=C(C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1)N1CCOCC1 ZINC000514390170 1066206595 /nfs/dbraw/zinc/20/65/95/1066206595.db2.gz ADUGRRFDBVSPIS-UHFFFAOYSA-N 0 0 550.634 -0.222 20 0 KBADRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514390294 1066206661 /nfs/dbraw/zinc/20/66/61/1066206661.db2.gz FEYHNLHPSREXEE-UHFFFAOYSA-N 0 0 508.597 -0.830 20 0 KBADRN CCN(CC)C(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000514390320 1066206578 /nfs/dbraw/zinc/20/65/78/1066206578.db2.gz FYRSOGDHNXNRIW-UHFFFAOYSA-N 0 0 529.685 -0.253 20 0 KBADRN Cn1c2ncn(CCC(=O)N3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)c2c(=O)n(C)c1=O ZINC000514390468 1066207331 /nfs/dbraw/zinc/20/73/31/1066207331.db2.gz KWXNRLLWVKKMQX-UHFFFAOYSA-N 0 0 518.581 -0.638 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000514390559 1066207346 /nfs/dbraw/zinc/20/73/46/1066207346.db2.gz OMRXSGSTJBSCLN-UHFFFAOYSA-N 0 0 506.541 -0.508 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000514390792 1066207420 /nfs/dbraw/zinc/20/74/20/1066207420.db2.gz VTNWVKCXNZXPBO-UHFFFAOYSA-N 0 0 508.597 -0.375 20 0 KBADRN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000514390904 1066206621 /nfs/dbraw/zinc/20/66/21/1066206621.db2.gz AYNWDBPBICOXTL-INIZCTEOSA-N 0 0 504.656 -0.474 20 0 KBADRN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000514390905 1066207154 /nfs/dbraw/zinc/20/71/54/1066207154.db2.gz AYNWDBPBICOXTL-MRXNPFEDSA-N 0 0 504.656 -0.474 20 0 KBADRN O=C(CCN1CCN(C(=O)C(=O)N2CCOCC2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514392229 1066207225 /nfs/dbraw/zinc/20/72/25/1066207225.db2.gz SRCWXWSXQZZTCY-UHFFFAOYSA-N 0 0 507.613 -0.197 20 0 KBADRN COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1C(=O)OC ZINC000514392436 1066207787 /nfs/dbraw/zinc/20/77/87/1066207787.db2.gz WZZQYLZZMSVQCP-UHFFFAOYSA-N 0 0 526.568 -0.356 20 0 KBADRN O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514392820 1066207858 /nfs/dbraw/zinc/20/78/58/1066207858.db2.gz DEDKJEYGMLCKBV-UHFFFAOYSA-N 0 0 599.648 -0.014 20 0 KBADRN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514392905 1066207763 /nfs/dbraw/zinc/20/77/63/1066207763.db2.gz HERKLLMZFKJTNH-UHFFFAOYSA-N 0 0 510.569 -0.954 20 0 KBADRN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514392916 1066207776 /nfs/dbraw/zinc/20/77/76/1066207776.db2.gz HJSMIHGPXDLEFM-IBGZPJMESA-N 0 0 512.654 -0.075 20 0 KBADRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514392917 1066207966 /nfs/dbraw/zinc/20/79/66/1066207966.db2.gz HJSMIHGPXDLEFM-LJQANCHMSA-N 0 0 512.654 -0.075 20 0 KBADRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514392994 1066208011 /nfs/dbraw/zinc/20/80/11/1066208011.db2.gz JVHABSDBHZJFPK-GOSISDBHSA-N 0 0 529.015 -0.597 20 0 KBADRN CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514392995 1066207824 /nfs/dbraw/zinc/20/78/24/1066207824.db2.gz JVHABSDBHZJFPK-SFHVURJKSA-N 0 0 529.015 -0.597 20 0 KBADRN O=C(CN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1)N1CCOCC1 ZINC000514393553 1066207891 /nfs/dbraw/zinc/20/78/91/1066207891.db2.gz FCAZADYFCIEQKR-UHFFFAOYSA-N 0 0 501.631 -0.545 20 0 KBADRN Cc1ccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000514393571 1066207986 /nfs/dbraw/zinc/20/79/86/1066207986.db2.gz GECIOAYKEHQKDM-UHFFFAOYSA-N 0 0 509.629 -0.569 20 0 KBADRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C(=O)CN4CCOCC4)CC3)CC2)cc1 ZINC000514393688 1066207997 /nfs/dbraw/zinc/20/79/97/1066207997.db2.gz JGCIVBALSOEJMK-UHFFFAOYSA-N 0 0 523.656 -0.605 20 0 KBADRN CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(=O)[nH]c1=O ZINC000514394632 1066207844 /nfs/dbraw/zinc/20/78/44/1066207844.db2.gz PYQPWGYLKRMJDR-UHFFFAOYSA-N 0 0 535.646 -0.143 20 0 KBADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000514401515 1066207140 /nfs/dbraw/zinc/20/71/40/1066207140.db2.gz XRICKFWHPUPUCW-UHFFFAOYSA-N 0 0 569.706 -0.189 20 0 KBADRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2)C[C@H](C)O1 ZINC000514401718 1066207210 /nfs/dbraw/zinc/20/72/10/1066207210.db2.gz CIJLDMXPLRIGBN-HDICACEKSA-N 0 0 516.642 -0.181 20 0 KBADRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2)C[C@@H](C)O1 ZINC000514401720 1066207196 /nfs/dbraw/zinc/20/71/96/1066207196.db2.gz CIJLDMXPLRIGBN-QZTJIDSGSA-N 0 0 516.642 -0.181 20 0 KBADRN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2)C[C@H](C)O1 ZINC000514401722 1066207281 /nfs/dbraw/zinc/20/72/81/1066207281.db2.gz CIJLDMXPLRIGBN-ROUUACIJSA-N 0 0 516.642 -0.181 20 0 KBADRN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514401874 1066207182 /nfs/dbraw/zinc/20/71/82/1066207182.db2.gz AKTNYAUQBHEBBL-UHFFFAOYSA-N 0 0 570.068 -0.517 20 0 KBADRN COc1ccc(CCN2C[C@@H](C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2=O)cc1OC ZINC000514402538 1066207296 /nfs/dbraw/zinc/20/72/96/1066207296.db2.gz OUHZHBWZCPGKLP-IBGZPJMESA-N 0 0 510.613 -0.184 20 0 KBADRN COc1ccc(CCN2C[C@H](C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2=O)cc1OC ZINC000514402544 1066207835 /nfs/dbraw/zinc/20/78/35/1066207835.db2.gz OUHZHBWZCPGKLP-LJQANCHMSA-N 0 0 510.613 -0.184 20 0 KBADRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000514403477 1066207976 /nfs/dbraw/zinc/20/79/76/1066207976.db2.gz YZKXVCOBRVVRLJ-UHFFFAOYSA-N 0 0 510.660 -0.400 20 0 KBADRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000514404539 1066207814 /nfs/dbraw/zinc/20/78/14/1066207814.db2.gz HEHBYUKRQRPBDZ-UHFFFAOYSA-N 0 0 503.537 -0.204 20 0 KBADRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514404849 1066207877 /nfs/dbraw/zinc/20/78/77/1066207877.db2.gz LEYBFAXIPDDEOJ-GOSISDBHSA-N 0 0 573.466 -0.488 20 0 KBADRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514404850 1066207903 /nfs/dbraw/zinc/20/79/03/1066207903.db2.gz LEYBFAXIPDDEOJ-SFHVURJKSA-N 0 0 573.466 -0.488 20 0 KBADRN