smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc1)C2=O ZINC000514294095 1059090340 /nfs/dbraw/zinc/09/03/40/1059090340.db2.gz VPDDYIWFTTYTQF-UHFFFAOYSA-N -1 0 514.608 2.724 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)Cc2cccc(F)c2)c(C(=O)OC)c1C ZINC000514295239 1059095450 /nfs/dbraw/zinc/09/54/50/1059095450.db2.gz APNFQOXXTKJFQS-INIZCTEOSA-N -1 0 546.664 2.827 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N(C)Cc2cccc(F)c2)c(C(=O)OC)c1C ZINC000514295241 1059095636 /nfs/dbraw/zinc/09/56/36/1059095636.db2.gz APNFQOXXTKJFQS-MRXNPFEDSA-N -1 0 546.664 2.827 20 0 KFADRM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)ccc1C ZINC000514295387 1059112834 /nfs/dbraw/zinc/11/28/34/1059112834.db2.gz ASEWFWMSCZVBOG-UHFFFAOYSA-N -1 0 518.635 2.769 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccccc2OC)c(C(=O)OC)c1C ZINC000514295901 1059106377 /nfs/dbraw/zinc/10/63/77/1059106377.db2.gz GKRFMPOONUFLNR-AWEZNQCLSA-N -1 0 530.646 2.677 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccccc2OC)c(C(=O)OC)c1C ZINC000514295904 1059107264 /nfs/dbraw/zinc/10/72/64/1059107264.db2.gz GKRFMPOONUFLNR-CQSZACIVSA-N -1 0 530.646 2.677 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2cc(OC)cc(OC)c2)c(C(=O)OC)c1C ZINC000514295927 1059101329 /nfs/dbraw/zinc/10/13/29/1059101329.db2.gz GSTIFTMVRFQTJI-INIZCTEOSA-N -1 0 560.672 2.686 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2cc(OC)cc(OC)c2)c(C(=O)OC)c1C ZINC000514295929 1059101311 /nfs/dbraw/zinc/10/13/11/1059101311.db2.gz GSTIFTMVRFQTJI-MRXNPFEDSA-N -1 0 560.672 2.686 20 0 KFADRM O=S(=O)([N-]c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000514295978 1059102667 /nfs/dbraw/zinc/10/26/67/1059102667.db2.gz DKUAMUPUEOWPDO-UHFFFAOYSA-N -1 0 534.081 2.710 20 0 KFADRM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc(Cl)cc1F ZINC000514296001 1059103406 /nfs/dbraw/zinc/10/34/06/1059103406.db2.gz DXWKDQGYSGKUEU-INIZCTEOSA-N -1 0 534.031 2.892 20 0 KFADRM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC000514296009 1059103494 /nfs/dbraw/zinc/10/34/94/1059103494.db2.gz DXWKDQGYSGKUEU-MRXNPFEDSA-N -1 0 534.031 2.892 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(N(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000514296212 1059100817 /nfs/dbraw/zinc/10/08/17/1059100817.db2.gz GVZMJXXNPUUAMA-UHFFFAOYSA-N -1 0 536.598 2.876 20 0 KFADRM COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000514296426 1059127861 /nfs/dbraw/zinc/12/78/61/1059127861.db2.gz LLXRHZTWODWHRK-UHFFFAOYSA-N -1 0 558.078 2.843 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccc(C)cc2O)c(C(=O)OC)c1C ZINC000514296826 1059121029 /nfs/dbraw/zinc/12/10/29/1059121029.db2.gz OJHJSQHCLFWINJ-AWEZNQCLSA-N -1 0 530.646 2.682 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccc(C)cc2O)c(C(=O)OC)c1C ZINC000514296832 1059121039 /nfs/dbraw/zinc/12/10/39/1059121039.db2.gz OJHJSQHCLFWINJ-CQSZACIVSA-N -1 0 530.646 2.682 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccc(OC)c(OC)c2)c(C(=O)OC)c1C ZINC000514296833 1059121048 /nfs/dbraw/zinc/12/10/48/1059121048.db2.gz OQSVZLYOZADKCB-AWEZNQCLSA-N -1 0 560.672 2.686 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccc(OC)c(OC)c2)c(C(=O)OC)c1C ZINC000514296834 1059121015 /nfs/dbraw/zinc/12/10/15/1059121015.db2.gz OQSVZLYOZADKCB-CQSZACIVSA-N -1 0 560.672 2.686 20 0 KFADRM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000514297044 1059118121 /nfs/dbraw/zinc/11/81/21/1059118121.db2.gz MQBUTQAGVRLTKF-GOSISDBHSA-N -1 0 527.690 2.693 20 0 KFADRM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000514297046 1059118145 /nfs/dbraw/zinc/11/81/45/1059118145.db2.gz MQBUTQAGVRLTKF-SFHVURJKSA-N -1 0 527.690 2.693 20 0 KFADRM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc2C)cc1Cl ZINC000514297304 1059130838 /nfs/dbraw/zinc/13/08/38/1059130838.db2.gz RKHBRIIGQOCWKY-FQEVSTJZSA-N -1 0 552.049 2.930 20 0 KFADRM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)ccc2C)cc1Cl ZINC000514297307 1059130866 /nfs/dbraw/zinc/13/08/66/1059130866.db2.gz RKHBRIIGQOCWKY-HXUWFJFHSA-N -1 0 552.049 2.930 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)Cc2ccc(C)o2)c(C(=O)OC)c1C ZINC000514297820 1059136295 /nfs/dbraw/zinc/13/62/95/1059136295.db2.gz VDQPKHVRTZNCMW-HNNXBMFYSA-N -1 0 532.662 2.590 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N(C)Cc2ccc(C)o2)c(C(=O)OC)c1C ZINC000514297824 1059140997 /nfs/dbraw/zinc/14/09/97/1059140997.db2.gz VDQPKHVRTZNCMW-OAHLLOKOSA-N -1 0 532.662 2.590 20 0 KFADRM CCCN(CCC)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000514297848 1059142467 /nfs/dbraw/zinc/14/24/67/1059142467.db2.gz VIYMAXALLYAFOJ-AWEZNQCLSA-N -1 0 508.684 2.678 20 0 KFADRM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000514297850 1059142485 /nfs/dbraw/zinc/14/24/85/1059142485.db2.gz SVKMJXLEQCDCHI-KRWDZBQOSA-N -1 0 516.041 2.753 20 0 KFADRM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000514297851 1059142396 /nfs/dbraw/zinc/14/23/96/1059142396.db2.gz SVKMJXLEQCDCHI-QGZVFWFLSA-N -1 0 516.041 2.753 20 0 KFADRM CCCN(CCC)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000514297853 1059142506 /nfs/dbraw/zinc/14/25/06/1059142506.db2.gz VIYMAXALLYAFOJ-CQSZACIVSA-N -1 0 508.684 2.678 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2cc(OC)c(OC)cc2C)c(C(=O)OC)c1C ZINC000514298158 1059133591 /nfs/dbraw/zinc/13/35/91/1059133591.db2.gz ZBVDXSYCOLHSCW-AWEZNQCLSA-N -1 0 574.699 2.994 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2cc(OC)c(OC)cc2C)c(C(=O)OC)c1C ZINC000514298162 1059133654 /nfs/dbraw/zinc/13/36/54/1059133654.db2.gz ZBVDXSYCOLHSCW-CQSZACIVSA-N -1 0 574.699 2.994 20 0 KFADRM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000514298276 1059138183 /nfs/dbraw/zinc/13/81/83/1059138183.db2.gz YWHKVOPBXXGYLH-GASCZTMLSA-N -1 0 535.566 2.577 20 0 KFADRM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000514298277 1059138091 /nfs/dbraw/zinc/13/80/91/1059138091.db2.gz YWHKVOPBXXGYLH-GJZGRUSLSA-N -1 0 535.566 2.577 20 0 KFADRM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C[C@@H](C)O1 ZINC000514298278 1059138041 /nfs/dbraw/zinc/13/80/41/1059138041.db2.gz YWHKVOPBXXGYLH-HUUCEWRRSA-N -1 0 535.566 2.577 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)NCc2ccccc2C)c(C(=O)OC)c1C ZINC000514299275 1059152711 /nfs/dbraw/zinc/15/27/11/1059152711.db2.gz JMTSKFWCQQUKLS-INIZCTEOSA-N -1 0 528.674 2.655 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)NCc2ccccc2C)c(C(=O)OC)c1C ZINC000514299276 1059152268 /nfs/dbraw/zinc/15/22/68/1059152268.db2.gz JMTSKFWCQQUKLS-MRXNPFEDSA-N -1 0 528.674 2.655 20 0 KFADRM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000514299646 1059174567 /nfs/dbraw/zinc/17/45/67/1059174567.db2.gz INIFFRYZGRKOJC-UHFFFAOYSA-N -1 0 503.668 2.596 20 0 KFADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)ccc2OC)cc1 ZINC000514299791 1059171923 /nfs/dbraw/zinc/17/19/23/1059171923.db2.gz IPGXIXZPEZQLCU-UHFFFAOYSA-N -1 0 516.576 2.698 20 0 KFADRM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)c1 ZINC000514299964 1059167446 /nfs/dbraw/zinc/16/74/46/1059167446.db2.gz JCUFOUZRYYHWSU-UHFFFAOYSA-N -1 0 504.608 2.509 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c(C(=O)OC)c1C ZINC000514300622 1059191769 /nfs/dbraw/zinc/19/17/69/1059191769.db2.gz QBRLSURMTWGBPG-IBGZPJMESA-N -1 0 631.770 2.522 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c(C(=O)OC)c1C ZINC000514300623 1059191743 /nfs/dbraw/zinc/19/17/43/1059191743.db2.gz QBRLSURMTWGBPG-LJQANCHMSA-N -1 0 631.770 2.522 20 0 KFADRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c2)cc1Cl ZINC000514300959 1059187726 /nfs/dbraw/zinc/18/77/26/1059187726.db2.gz VCNISZIIGZKHTF-UHFFFAOYSA-N -1 0 553.081 2.749 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C(=O)OC)c1C ZINC000514301963 1059220684 /nfs/dbraw/zinc/22/06/84/1059220684.db2.gz JQGQQYGVIQGTOS-IBGZPJMESA-N -1 0 594.737 2.874 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C(=O)OC)c1C ZINC000514301964 1059220761 /nfs/dbraw/zinc/22/07/61/1059220761.db2.gz JQGQQYGVIQGTOS-LJQANCHMSA-N -1 0 594.737 2.874 20 0 KFADRM COc1ccc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000514302028 1059221363 /nfs/dbraw/zinc/22/13/63/1059221363.db2.gz ADLVOUYGNSLCFC-UHFFFAOYSA-N -1 0 509.650 2.786 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000514303886 1059210461 /nfs/dbraw/zinc/21/04/61/1059210461.db2.gz QDKMDVWJOYAQPL-UHFFFAOYSA-N -1 0 504.652 2.709 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000514304699 1059213376 /nfs/dbraw/zinc/21/33/76/1059213376.db2.gz WQVLYWORRMXBDM-UHFFFAOYSA-N -1 0 507.556 2.772 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccc(C)cc2)c(C(=O)OC)c1C ZINC000514304741 1059214046 /nfs/dbraw/zinc/21/40/46/1059214046.db2.gz YHPDHIWLYDSFSU-HNNXBMFYSA-N -1 0 514.647 2.977 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccc(C)cc2)c(C(=O)OC)c1C ZINC000514304742 1059213986 /nfs/dbraw/zinc/21/39/86/1059213986.db2.gz YHPDHIWLYDSFSU-OAHLLOKOSA-N -1 0 514.647 2.977 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)NCc2ccc(C)cc2)c(C(=O)OC)c1C ZINC000514379579 1059284040 /nfs/dbraw/zinc/28/40/40/1059284040.db2.gz AAIFVWVBKILVDX-INIZCTEOSA-N -1 0 528.674 2.655 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)NCc2ccc(C)cc2)c(C(=O)OC)c1C ZINC000514379580 1059283960 /nfs/dbraw/zinc/28/39/60/1059283960.db2.gz AAIFVWVBKILVDX-MRXNPFEDSA-N -1 0 528.674 2.655 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C(=O)OC)c1C ZINC000514379622 1059282100 /nfs/dbraw/zinc/28/21/00/1059282100.db2.gz BICDASIJZLYAEI-CYBMUJFWSA-N -1 0 530.646 2.851 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(C(=O)OC)c1C ZINC000514379623 1059282256 /nfs/dbraw/zinc/28/22/56/1059282256.db2.gz BICDASIJZLYAEI-ZDUSSCGKSA-N -1 0 530.646 2.851 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C(=O)OC)c1C ZINC000514380089 1059278721 /nfs/dbraw/zinc/27/87/21/1059278721.db2.gz FEEOGLLCPIJNST-UHFFFAOYSA-N -1 0 530.646 2.914 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCc3ccccc3C2)c(C(=O)OC)c1C ZINC000514380112 1059277611 /nfs/dbraw/zinc/27/76/11/1059277611.db2.gz FMHDZFDHEGCKGS-KRWDZBQOSA-N -1 0 540.685 2.615 20 0 KFADRM 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O=C(CCN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Cl)c1 ZINC000514401027 1059361423 /nfs/dbraw/zinc/36/14/23/1059361423.db2.gz JHYCKTRVWVDIFU-FQEVSTJZSA-N -1 0 575.540 2.928 20 0 KFADRM O=C(CCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Cl)c1 ZINC000514401028 1059361548 /nfs/dbraw/zinc/36/15/48/1059361548.db2.gz JHYCKTRVWVDIFU-HXUWFJFHSA-N -1 0 575.540 2.928 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000514401662 1059366018 /nfs/dbraw/zinc/36/60/18/1059366018.db2.gz BJGNLZQNOFENOI-UHFFFAOYSA-N -1 0 508.622 2.563 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000514402296 1059363367 /nfs/dbraw/zinc/36/33/67/1059363367.db2.gz NTMCWTNFXMFBPE-UHFFFAOYSA-N -1 0 515.679 2.693 20 0 KFADRM CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000514402894 1059369283 /nfs/dbraw/zinc/36/92/83/1059369283.db2.gz SQIRESJGEQBLSJ-UHFFFAOYSA-N -1 0 516.663 2.853 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000514403185 1059367798 /nfs/dbraw/zinc/36/77/98/1059367798.db2.gz JVFFPNVVIRTANZ-UHFFFAOYSA-N -1 0 570.759 2.903 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)c1 ZINC000514403210 1059367732 /nfs/dbraw/zinc/36/77/32/1059367732.db2.gz KFGKGUMZZVOTHF-UHFFFAOYSA-N -1 0 542.632 2.878 20 0 KFADRM CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000514403921 1059376663 /nfs/dbraw/zinc/37/66/63/1059376663.db2.gz UAIPAWGOOKFAAP-UHFFFAOYSA-N -1 0 509.606 2.531 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCN(c3ccccc3F)CC2)c(C(=O)OC)c1C ZINC000514404277 1059373879 /nfs/dbraw/zinc/37/38/79/1059373879.db2.gz ARNYDZWSELCYFN-KRWDZBQOSA-N -1 0 587.717 2.518 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N2CCN(c3ccccc3F)CC2)c(C(=O)OC)c1C ZINC000514404278 1059374278 /nfs/dbraw/zinc/37/42/78/1059374278.db2.gz ARNYDZWSELCYFN-QGZVFWFLSA-N -1 0 587.717 2.518 20 0 KFADRM CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000514404530 1059419135 /nfs/dbraw/zinc/41/91/35/1059419135.db2.gz GQBJMPRHGCSHAN-UHFFFAOYSA-N -1 0 503.668 2.743 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccc(CN3CCOCC3)cc2)c(C(=O)OC)c1C ZINC000514405266 1059362431 /nfs/dbraw/zinc/36/24/31/1059362431.db2.gz UYFAKNMNQRUKIK-IBGZPJMESA-N -1 0 599.753 2.501 20 0 KFADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccc(CN3CCOCC3)cc2)c(C(=O)OC)c1C ZINC000514405267 1059362620 /nfs/dbraw/zinc/36/26/20/1059362620.db2.gz UYFAKNMNQRUKIK-LJQANCHMSA-N -1 0 599.753 2.501 20 0 KFADRM CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000514405397 1059424448 /nfs/dbraw/zinc/42/44/48/1059424448.db2.gz VJMAQSPMXVWDKX-UHFFFAOYSA-N -1 0 503.668 2.743 20 0 KFADRM CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000514405467 1059423607 /nfs/dbraw/zinc/42/36/07/1059423607.db2.gz WATUJMKMVJHVMI-UHFFFAOYSA-N -1 0 511.622 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