smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc2n1-c1sc(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)NCCCN1CCN(C)CC1 ZINC000114766975 1066886539 /nfs/dbraw/zinc/88/65/39/1066886539.db2.gz PKQXLRYFPSZKDU-QFIPXVFZSA-N 0 3 540.137 3.943 20 0 KHADHN CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)Cc1ccccc1 ZINC000514291739 1066364131 /nfs/dbraw/zinc/36/41/31/1066364131.db2.gz GXTPGUOAIHSROA-FQEVSTJZSA-N 0 3 587.378 3.901 20 0 KHADHN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)Cc1ccccc1 ZINC000514291740 1066364159 /nfs/dbraw/zinc/36/41/59/1066364159.db2.gz GXTPGUOAIHSROA-HXUWFJFHSA-N 0 3 587.378 3.901 20 0 KHADHN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)N2CCCC2)cc1 ZINC000514292151 1066365668 /nfs/dbraw/zinc/36/56/68/1066365668.db2.gz LXFLCTPGDDWTBY-FQEVSTJZSA-N 0 3 556.548 3.873 20 0 KHADHN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)N2CCCC2)cc1 ZINC000514292152 1066365714 /nfs/dbraw/zinc/36/57/14/1066365714.db2.gz LXFLCTPGDDWTBY-HXUWFJFHSA-N 0 3 556.548 3.873 20 0 KHADHN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N2CCCC2)cc1 ZINC000514293688 1066335932 /nfs/dbraw/zinc/33/59/32/1066335932.db2.gz VVIZDWLUYXOLRM-DEOSSOPVSA-N 0 3 506.068 3.703 20 0 KHADHN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N2CCCC2)cc1 ZINC000514293689 1066335749 /nfs/dbraw/zinc/33/57/49/1066335749.db2.gz VVIZDWLUYXOLRM-XMMPIXPASA-N 0 3 506.068 3.703 20 0 KHADHN CC1CCN([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2cccs2)CC1 ZINC000514294306 1066339738 /nfs/dbraw/zinc/33/97/38/1066339738.db2.gz ZXJIWERHYPGRFE-JOCHJYFZSA-N 0 3 533.716 3.509 20 0 KHADHN CC1CCN([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2cccs2)CC1 ZINC000514294307 1066339946 /nfs/dbraw/zinc/33/99/46/1066339946.db2.gz ZXJIWERHYPGRFE-QFIPXVFZSA-N 0 3 533.716 3.509 20 0 KHADHN CCCCCN(C(=O)CCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514295137 1066339682 /nfs/dbraw/zinc/33/96/82/1066339682.db2.gz HDTVCWSVGOKTPM-DEOSSOPVSA-N 0 3 570.735 3.597 20 0 KHADHN CCCCCN(C(=O)CCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514295139 1066339632 /nfs/dbraw/zinc/33/96/32/1066339632.db2.gz HDTVCWSVGOKTPM-XMMPIXPASA-N 0 3 570.735 3.597 20 0 KHADHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c(=O)[nH]c4ccccc4n13)C(C)(C)NC(C)(C)C2 ZINC000514297011 1066346746 /nfs/dbraw/zinc/34/67/46/1066346746.db2.gz MBYAAUPPHHAREJ-UHFFFAOYSA-N 0 3 540.671 3.699 20 0 KHADHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nn3c(nnc(C(C)(C)C)c3=O)s1)C(C)(C)NC(C)(C)C2 ZINC000514298194 1066349162 /nfs/dbraw/zinc/34/91/62/1066349162.db2.gz WOKPGHIRYHBYCM-UHFFFAOYSA-N 0 3 564.759 3.972 20 0 KHADHN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)cc1 ZINC000514299290 1066353968 /nfs/dbraw/zinc/35/39/68/1066353968.db2.gz JXLATHXBOOLJFG-HHHXNRCGSA-N 0 3 511.688 3.538 20 0 KHADHN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)cc1 ZINC000514299291 1066354182 /nfs/dbraw/zinc/35/41/82/1066354182.db2.gz JXLATHXBOOLJFG-MHZLTWQESA-N 0 3 511.688 3.538 20 0 KHADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)cc1OC ZINC000514299715 1066357432 /nfs/dbraw/zinc/35/74/32/1066357432.db2.gz PDHNWHDWIBPHKO-JOCHJYFZSA-N 0 3 535.732 3.755 20 0 KHADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)cc1OC ZINC000514299716 1066357356 /nfs/dbraw/zinc/35/73/56/1066357356.db2.gz PDHNWHDWIBPHKO-QFIPXVFZSA-N 0 3 535.732 3.755 20 0 KHADHN CN(C)CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000514300370 1066370127 /nfs/dbraw/zinc/37/01/27/1066370127.db2.gz MLUSWCVTEPFRGY-UHFFFAOYSA-N 0 3 514.511 3.502 20 0 KHADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)cc1 ZINC000514301853 1066372520 /nfs/dbraw/zinc/37/25/20/1066372520.db2.gz FAWAOSWNMWEDKO-HSZRJFAPSA-N 0 3 505.706 3.747 20 0 KHADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)cc1 ZINC000514301854 1066372433 /nfs/dbraw/zinc/37/24/33/1066372433.db2.gz FAWAOSWNMWEDKO-QHCPKHFHSA-N 0 3 505.706 3.747 20 0 KHADHN CCCCn1c(CCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514302709 1066366834 /nfs/dbraw/zinc/36/68/34/1066366834.db2.gz QUMBRPBCTZEPOQ-GDLZYMKVSA-N 0 3 597.782 3.752 20 0 KHADHN CCCCn1c(CCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514302710 1066366803 /nfs/dbraw/zinc/36/68/03/1066366803.db2.gz QUMBRPBCTZEPOQ-LJAQVGFWSA-N 0 3 597.782 3.752 20 0 KHADHN CN(C)[C@H](CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1ccccc1 ZINC000514375039 1066378238 /nfs/dbraw/zinc/37/82/38/1066378238.db2.gz KHVUNPIJUFDPCS-AREMUKBSSA-N 0 3 598.795 3.592 20 0 KHADHN CN(C)[C@@H](CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1ccccc1 ZINC000514375041 1066378139 /nfs/dbraw/zinc/37/81/39/1066378139.db2.gz KHVUNPIJUFDPCS-SANMLTNESA-N 0 3 598.795 3.592 20 0 KHADHN COc1ccc([C@@H](CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)N2CCCC2)cc1 ZINC000514377509 1066392264 /nfs/dbraw/zinc/39/22/64/1066392264.db2.gz YRMNUFQFKMPJHV-HHHXNRCGSA-N 0 3 553.729 3.642 20 0 KHADHN COc1ccc([C@H](CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)N2CCCC2)cc1 ZINC000514377510 1066392303 /nfs/dbraw/zinc/39/23/03/1066392303.db2.gz YRMNUFQFKMPJHV-MHZLTWQESA-N 0 3 553.729 3.642 20 0 KHADHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)c(C)c2)CC1 ZINC000514378783 1066394341 /nfs/dbraw/zinc/39/43/41/1066394341.db2.gz XFXVVMRMXYQOGC-UHFFFAOYSA-N 0 3 500.665 3.619 20 0 KHADHN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)cc1 ZINC000514378800 1066394520 /nfs/dbraw/zinc/39/45/20/1066394520.db2.gz XONQGARLQGGNJO-DEOSSOPVSA-N 0 3 517.717 3.941 20 0 KHADHN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)cc1 ZINC000514378801 1066394688 /nfs/dbraw/zinc/39/46/88/1066394688.db2.gz XONQGARLQGGNJO-XMMPIXPASA-N 0 3 517.717 3.941 20 0 KHADHN CCOC(=O)c1sc2nc(CSCCC(=O)NC[C@@H](c3ccccc3)N(C)C)[nH]c(=O)c2c1C ZINC000514380339 1066396206 /nfs/dbraw/zinc/39/62/06/1066396206.db2.gz IBCKTJPUVJUACJ-KRWDZBQOSA-N 0 3 502.662 3.512 20 0 KHADHN CCOC(=O)c1sc2nc(CSCCC(=O)NC[C@H](c3ccccc3)N(C)C)[nH]c(=O)c2c1C ZINC000514380341 1066396144 /nfs/dbraw/zinc/39/61/44/1066396144.db2.gz IBCKTJPUVJUACJ-QGZVFWFLSA-N 0 3 502.662 3.512 20 0 KHADHN CCCn1c(CCC(=O)NC[C@H](c2ccccc2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514380791 1066374276 /nfs/dbraw/zinc/37/42/76/1066374276.db2.gz QLSPFEIEJAZPPB-RUZDIDTESA-N 0 3 511.692 3.583 20 0 KHADHN CCCn1c(CCC(=O)NC[C@@H](c2ccccc2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514380792 1066374328 /nfs/dbraw/zinc/37/43/28/1066374328.db2.gz QLSPFEIEJAZPPB-VWLOTQADSA-N 0 3 511.692 3.583 20 0 KHADHN O=S(=O)(c1cccc(-c2nnc(SCCN3CCCCC3)n2C2CCCC2)c1)N1CCOCC1 ZINC000514382887 1066402154 /nfs/dbraw/zinc/40/21/54/1066402154.db2.gz BLHNFDKQBKRVLM-UHFFFAOYSA-N 0 3 505.710 3.659 20 0 KHADHN CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)sc2c1CC(C)(C)NC2(C)C ZINC000514403017 1066457461 /nfs/dbraw/zinc/45/74/61/1066457461.db2.gz OWJIIRNCXFITEB-UHFFFAOYSA-N 0 3 591.752 3.910 20 0 KHADHN CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c(C)c2)CC1 ZINC000514403745 1066463779 /nfs/dbraw/zinc/46/37/79/1066463779.db2.gz PBPGNDKOUGSTJJ-UHFFFAOYSA-N 0 3 510.704 3.665 20 0 KHADHN CCNC(=O)c1cccnc1NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001160601147 1066861430 /nfs/dbraw/zinc/86/14/30/1066861430.db2.gz IAFHLNBRGSLJGT-IGKIAQTJSA-N 0 3 500.599 3.664 20 0 KHADHN CCNC(=O)c1cccnc1NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001160601148 1066861666 /nfs/dbraw/zinc/86/16/66/1066861666.db2.gz IAFHLNBRGSLJGT-RPLLCQBOSA-N 0 3 500.599 3.664 20 0 KHADHN CN(C)C(=O)c1ccc(NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)nc1 ZINC001160601483 1066861563 /nfs/dbraw/zinc/86/15/63/1066861563.db2.gz RDPVMQMYECIAMM-CUBQBAPOSA-N 0 3 500.599 3.616 20 0 KHADHN CN(C)C(=O)c1ccc(NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)nc1 ZINC001160601484 1066861522 /nfs/dbraw/zinc/86/15/22/1066861522.db2.gz RDPVMQMYECIAMM-RBJSKKJNSA-N 0 3 500.599 3.616 20 0 KHADHN CCNC(=O)c1ccc(NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)nc1 ZINC001160601508 1066861686 /nfs/dbraw/zinc/86/16/86/1066861686.db2.gz RLIAZQUJUWXVOP-CUBQBAPOSA-N 0 3 500.599 3.664 20 0 KHADHN CCNC(=O)c1ccc(NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)nc1 ZINC001160601509 1066861542 /nfs/dbraw/zinc/86/15/42/1066861542.db2.gz RLIAZQUJUWXVOP-RBJSKKJNSA-N 0 3 500.599 3.664 20 0 KHADHN NC1(C(=O)NCc2ccccc2)CCN(c2nc(-c3ccccn3)c(-c3ccccn3)nc2Cl)CC1 ZINC001161529030 1066861755 /nfs/dbraw/zinc/86/17/55/1066861755.db2.gz COCORQDNPCFNCH-UHFFFAOYSA-N 0 3 500.006 3.868 20 0 KHADHN C[C@@H](Oc1ccccc1)C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738546 1066862405 /nfs/dbraw/zinc/86/24/05/1066862405.db2.gz CNWRXVOOOFPIES-LFQQERRSSA-N 0 3 500.595 3.991 20 0 KHADHN C[C@H](Oc1ccccc1)C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738547 1066862342 /nfs/dbraw/zinc/86/23/42/1066862342.db2.gz CNWRXVOOOFPIES-MSNNWPJDSA-N 0 3 500.595 3.991 20 0 KHADHN C[C@@H](Oc1ccccc1)C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738548 1066862471 /nfs/dbraw/zinc/86/24/71/1066862471.db2.gz CNWRXVOOOFPIES-OBBJCRILSA-N 0 3 500.595 3.991 20 0 KHADHN C[C@H](Oc1ccccc1)C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738549 1066862357 /nfs/dbraw/zinc/86/23/57/1066862357.db2.gz CNWRXVOOOFPIES-XRQHJSPUSA-N 0 3 500.595 3.991 20 0 KHADHN Cc1ccc([C@@H](O)C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220738568 1066862369 /nfs/dbraw/zinc/86/23/69/1066862369.db2.gz CUJSWVHIUPVCMH-BOSLPAGOSA-N 0 3 500.595 3.565 20 0 KHADHN Cc1ccc([C@@H](O)C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220738569 1066862441 /nfs/dbraw/zinc/86/24/41/1066862441.db2.gz CUJSWVHIUPVCMH-BUAQGSAMSA-N 0 3 500.595 3.565 20 0 KHADHN Cc1ccccc1[C@@H](O)C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738658 1066862464 /nfs/dbraw/zinc/86/24/64/1066862464.db2.gz FQLBCRNNGBHSFB-BOSLPAGOSA-N 0 3 500.595 3.565 20 0 KHADHN Cc1ccccc1[C@@H](O)C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738659 1066862386 /nfs/dbraw/zinc/86/23/86/1066862386.db2.gz FQLBCRNNGBHSFB-BUAQGSAMSA-N 0 3 500.595 3.565 20 0 KHADHN Cc1ccccc1[C@H](O)C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738660 1066862743 /nfs/dbraw/zinc/86/27/43/1066862743.db2.gz FQLBCRNNGBHSFB-MDZVADFISA-N 0 3 500.595 3.565 20 0 KHADHN Cc1ccccc1[C@H](O)C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738661 1066863043 /nfs/dbraw/zinc/86/30/43/1066863043.db2.gz FQLBCRNNGBHSFB-RWPDHJIBSA-N 0 3 500.595 3.565 20 0 KHADHN N[C@@H](CCCCNC(=O)COCc1ccccc1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738890 1066863079 /nfs/dbraw/zinc/86/30/79/1066863079.db2.gz JYKKJLIMXZEXDL-FREGXXQWSA-N 0 3 500.595 3.740 20 0 KHADHN N[C@@H](CCCCNC(=O)COCc1ccccc1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738891 1066862966 /nfs/dbraw/zinc/86/29/66/1066862966.db2.gz JYKKJLIMXZEXDL-YZNIXAGQSA-N 0 3 500.595 3.740 20 0 KHADHN N[C@@H](CCCCNC(=O)C[C@H](O)c1ccccc1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738926 1066863031 /nfs/dbraw/zinc/86/30/31/1066863031.db2.gz KNAUAGPHUMWUNB-BRWNIOCJSA-N 0 3 500.595 3.647 20 0 KHADHN N[C@@H](CCCCNC(=O)C[C@H](O)c1ccccc1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220738927 1066862858 /nfs/dbraw/zinc/86/28/58/1066862858.db2.gz KNAUAGPHUMWUNB-JCGRVDTESA-N 0 3 500.595 3.647 20 0 KHADHN CO[C@H](C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001220739316 1066862950 /nfs/dbraw/zinc/86/29/50/1066862950.db2.gz STQQQPBWUXNUSW-FMYROPPKSA-N 0 3 500.595 3.911 20 0 KHADHN CO[C@H](C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21)c1ccccc1 ZINC001220739317 1066863113 /nfs/dbraw/zinc/86/31/13/1066863113.db2.gz STQQQPBWUXNUSW-OWPQXHQJSA-N 0 3 500.595 3.911 20 0 KHADHN COc1cccc(CC(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)c1 ZINC001220739602 1066863005 /nfs/dbraw/zinc/86/30/05/1066863005.db2.gz YNANNSIUOHYTJU-FREGXXQWSA-N 0 3 500.595 3.775 20 0 KHADHN COc1cccc(CC(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)c1 ZINC001220739603 1066862879 /nfs/dbraw/zinc/86/28/79/1066862879.db2.gz YNANNSIUOHYTJU-YZNIXAGQSA-N 0 3 500.595 3.775 20 0 KHADHN COCc1ccc(C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220741251 1066862891 /nfs/dbraw/zinc/86/28/91/1066862891.db2.gz JBCNEJAKSQRWTP-LITSAYRRSA-N 0 3 500.595 3.984 20 0 KHADHN COCc1ccc(C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220741252 1066862794 /nfs/dbraw/zinc/86/27/94/1066862794.db2.gz JBCNEJAKSQRWTP-WNJJXGMVSA-N 0 3 500.595 3.984 20 0 KHADHN C[C@H]1CCc2c(C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C3c4ccccc4-c4ccccc43)n[nH]c21 ZINC001220741380 1066862912 /nfs/dbraw/zinc/86/29/12/1066862912.db2.gz NBVXYNRKEAKVDL-AXNJZRPJSA-N 0 3 500.599 3.610 20 0 KHADHN C[C@@H]1CCc2c(C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C3c4ccccc4-c4ccccc43)n[nH]c21 ZINC001220741381 1066863145 /nfs/dbraw/zinc/86/31/45/1066863145.db2.gz NBVXYNRKEAKVDL-BZJPVZJDSA-N 0 3 500.599 3.610 20 0 KHADHN C[C@H]1CCc2c(C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C3c4ccccc4-c4ccccc43)n[nH]c21 ZINC001220741382 1066863063 /nfs/dbraw/zinc/86/30/63/1066863063.db2.gz NBVXYNRKEAKVDL-IYRXFJASSA-N 0 3 500.599 3.610 20 0 KHADHN C[C@@H]1CCc2c(C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C3c4ccccc4-c4ccccc43)n[nH]c21 ZINC001220741383 1066862835 /nfs/dbraw/zinc/86/28/35/1066862835.db2.gz NBVXYNRKEAKVDL-JBKUBBTJSA-N 0 3 500.599 3.610 20 0 KHADHN C[C@@H](O)c1ccc(C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220741629 1066862989 /nfs/dbraw/zinc/86/29/89/1066862989.db2.gz QLSIIQBMZYTRQA-HRUHZFIUSA-N 0 3 500.595 3.891 20 0 KHADHN C[C@H](O)c1ccc(C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220741630 1066862928 /nfs/dbraw/zinc/86/29/28/1066862928.db2.gz QLSIIQBMZYTRQA-SGLFEJPPSA-N 0 3 500.595 3.891 20 0 KHADHN C[C@@H](O)c1ccc(C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220741631 1066863098 /nfs/dbraw/zinc/86/30/98/1066863098.db2.gz QLSIIQBMZYTRQA-WBZRNCBQSA-N 0 3 500.595 3.891 20 0 KHADHN C[C@H](O)c1ccc(C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)cc1 ZINC001220741632 1066863017 /nfs/dbraw/zinc/86/30/17/1066863017.db2.gz QLSIIQBMZYTRQA-ZTHLHLQVSA-N 0 3 500.595 3.891 20 0 KHADHN CCCc1ncncc1C(=O)NCCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220742078 1066863789 /nfs/dbraw/zinc/86/37/89/1066863789.db2.gz UOKGKIXDFVEKEG-CUBQBAPOSA-N 0 3 500.599 3.580 20 0 KHADHN CCCc1ncncc1C(=O)NCCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220742079 1066863916 /nfs/dbraw/zinc/86/39/16/1066863916.db2.gz UOKGKIXDFVEKEG-RBJSKKJNSA-N 0 3 500.599 3.580 20 0 KHADHN N[C@@H](CCCCNC(=O)c1ccc2c(c1)OCO2)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220742306 1066863812 /nfs/dbraw/zinc/86/38/12/1066863812.db2.gz WAIWYMKCJQTJIF-FIPFOOKPSA-N 0 3 500.551 3.566 20 0 KHADHN N[C@@H](CCCCNC(=O)c1ccc2c(c1)OCO2)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220742307 1066863927 /nfs/dbraw/zinc/86/39/27/1066863927.db2.gz WAIWYMKCJQTJIF-NEKDWFFYSA-N 0 3 500.551 3.566 20 0 KHADHN N[C@H](C(=O)N[C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC001221368445 1066863882 /nfs/dbraw/zinc/86/38/82/1066863882.db2.gz XFWDAGSHMPDVSN-FEVNIDIWSA-N 0 3 500.595 3.770 20 0 KHADHN N[C@H](C(=O)N[C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC001221368453 1066863945 /nfs/dbraw/zinc/86/39/45/1066863945.db2.gz XFWDAGSHMPDVSN-HRHHFINDSA-N 0 3 500.595 3.770 20 0 KHADHN N[C@H](C(=O)N[C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC001221368456 1066863873 /nfs/dbraw/zinc/86/38/73/1066863873.db2.gz XFWDAGSHMPDVSN-VWYPKUQYSA-N 0 3 500.595 3.770 20 0 KHADHN N[C@H](C(=O)N[C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC001221368459 1066863961 /nfs/dbraw/zinc/86/39/61/1066863961.db2.gz XFWDAGSHMPDVSN-WWDWLDGVSA-N 0 3 500.595 3.770 20 0 KHADHN