smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](F)C(Nc1cccc(-c2nn[nH]n2)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009876804 1071828448 /nfs/dbraw/zinc/82/84/48/1071828448.db2.gz ZNIFCGUBYBBYFT-SECBINFHSA-N -1 3 405.371 -0.425 20 0 HBADHM COC(=O)[C@@H](F)C(Nc1cccc(-c2nn[nH]n2)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009876809 1071828421 /nfs/dbraw/zinc/82/84/21/1071828421.db2.gz ZNIFCGUBYBBYFT-VIFPVBQESA-N -1 3 405.371 -0.425 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccc(N2CCOCC2)nc1 ZINC000011153089 1069012426 /nfs/dbraw/zinc/01/24/26/1069012426.db2.gz DLOQTFSDQLURMW-UHFFFAOYSA-N -1 3 424.255 -0.153 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000011268006 1071842017 /nfs/dbraw/zinc/84/20/17/1071842017.db2.gz QSGVPWMIDGCGQQ-UHFFFAOYSA-N -1 3 416.334 -0.499 20 0 HBADHM Cn1c(N)c(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(=O)n(C)c1=O ZINC000012989798 1071856293 /nfs/dbraw/zinc/85/62/93/1071856293.db2.gz VMHJRJXZOSITTM-UHFFFAOYSA-N -1 3 410.408 -0.923 20 0 HBADHM COC(=O)c1sc2[n-]c(Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc(=O)c2c1C ZINC000016056467 1069015661 /nfs/dbraw/zinc/01/56/61/1069015661.db2.gz QDOITIHBCGQIAR-UHFFFAOYSA-N -1 3 416.419 -0.125 20 0 HBADHM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2[O-])c1 ZINC000017575700 1069024869 /nfs/dbraw/zinc/02/48/69/1069024869.db2.gz OYVONEJQILVUCP-UHFFFAOYSA-N -1 3 420.447 -0.167 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000019610454 1071883259 /nfs/dbraw/zinc/88/32/59/1071883259.db2.gz VKEJKUJXAMBCMU-UHFFFAOYSA-N -1 3 402.429 -0.119 20 0 HBADHM COC(=O)C1CCN(C(=O)COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000019610479 1071883402 /nfs/dbraw/zinc/88/34/02/1071883402.db2.gz VIFAVAUYEMXGNU-UHFFFAOYSA-N -1 3 417.440 -0.475 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000019610538 1071883378 /nfs/dbraw/zinc/88/33/78/1071883378.db2.gz BQCSTBQWPUPPMU-UHFFFAOYSA-N -1 3 414.396 -0.268 20 0 HBADHM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000024680029 1069024442 /nfs/dbraw/zinc/02/44/42/1069024442.db2.gz RUNHALQXXAYXEG-VIFPVBQESA-N -1 3 423.289 -0.771 20 0 HBADHM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000024680034 1069024606 /nfs/dbraw/zinc/02/46/06/1069024606.db2.gz RUNHALQXXAYXEG-SECBINFHSA-N -1 3 423.289 -0.771 20 0 HBADHM Cn1c2ncn(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000024881989 1069025877 /nfs/dbraw/zinc/02/58/77/1069025877.db2.gz HRPDEODOSPQDCI-UHFFFAOYSA-N -1 3 406.424 -0.556 20 0 HBADHM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c(=O)n2C ZINC000024887215 1069025634 /nfs/dbraw/zinc/02/56/34/1069025634.db2.gz SBKTWWMXPSICFS-UHFFFAOYSA-N -1 3 406.424 -0.556 20 0 HBADHM Cn1c2ncn(CCC(=O)Nc3ccccc3[N-]S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000024892372 1069026354 /nfs/dbraw/zinc/02/63/54/1069026354.db2.gz BDKBWCYHULKUBZ-UHFFFAOYSA-N -1 3 420.451 -0.166 20 0 HBADHM CNC(=O)CN1CCC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000025231523 1069030953 /nfs/dbraw/zinc/03/09/53/1069030953.db2.gz LGXFXZDLPRWNQZ-NSHDSACASA-N -1 3 401.489 -0.715 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000025270277 1069031293 /nfs/dbraw/zinc/03/12/93/1069031293.db2.gz WKINVJFVAPTMGA-JTQLQIEISA-N -1 3 416.481 -0.078 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025758826 1069033450 /nfs/dbraw/zinc/03/34/50/1069033450.db2.gz HCZNRXDDZNRMLV-UHFFFAOYSA-N -1 3 424.255 -0.153 20 0 HBADHM COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000025788349 1069191651 /nfs/dbraw/zinc/19/16/51/1069191651.db2.gz VEXXAHUQNYHWMJ-VIFPVBQESA-N -1 3 408.436 -0.057 20 0 HBADHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000025788352 1069191800 /nfs/dbraw/zinc/19/18/00/1069191800.db2.gz VEXXAHUQNYHWMJ-SECBINFHSA-N -1 3 408.436 -0.057 20 0 HBADHM Cn1cc(S(=O)(=O)[N-]CCN2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000026955610 1068428142 /nfs/dbraw/zinc/42/81/42/1068428142.db2.gz CSBBERONZUUDOS-UHFFFAOYSA-N -1 3 421.523 -0.820 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000027156561 1069035917 /nfs/dbraw/zinc/03/59/17/1069035917.db2.gz RRHVRFLRZCKDLS-UHFFFAOYSA-N -1 3 411.212 -0.123 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000027262557 1069035881 /nfs/dbraw/zinc/03/58/81/1069035881.db2.gz GVVFENBNMKGJHF-UHFFFAOYSA-N -1 3 423.227 -0.731 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000027262562 1069036856 /nfs/dbraw/zinc/03/68/56/1069036856.db2.gz MWQDGJKNBJNZCP-NSHDSACASA-N -1 3 422.467 -0.072 20 0 HBADHM Cn1c2ncn(CC(=O)N[N-]C(=O)c3ccc4ccccc4n3)c2c(=O)n(C)c1=O ZINC000027683407 1069236855 /nfs/dbraw/zinc/23/68/55/1069236855.db2.gz RRKZUEAXKQXATM-UHFFFAOYSA-N -1 3 407.390 -0.557 20 0 HBADHM O=C(CNC(=O)c1ccccc1I)NN1CC(=O)[N-]C1=O ZINC000029019235 1071897745 /nfs/dbraw/zinc/89/77/45/1071897745.db2.gz LUGKZVCPESVHLS-UHFFFAOYSA-N -1 3 402.148 -0.396 20 0 HBADHM O=C(NN1CC(=O)[N-]C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000029019772 1071897930 /nfs/dbraw/zinc/89/79/30/1071897930.db2.gz IYDNVNVVJHLKCA-JTQLQIEISA-N -1 3 416.843 -0.006 20 0 HBADHM O=C(NN1CC(=O)[N-]C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000029019775 1071897782 /nfs/dbraw/zinc/89/77/82/1071897782.db2.gz IYDNVNVVJHLKCA-SNVBAGLBSA-N -1 3 416.843 -0.006 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000029097253 1071309964 /nfs/dbraw/zinc/30/99/64/1071309964.db2.gz XSJCMPVGMROJHP-NSHDSACASA-N -1 3 408.502 -0.548 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029192667 1071515761 /nfs/dbraw/zinc/51/57/61/1071515761.db2.gz VKCHCPNLPRKVLC-CMPLNLGQSA-N -1 3 408.502 -0.502 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029192670 1071515793 /nfs/dbraw/zinc/51/57/93/1071515793.db2.gz VKCHCPNLPRKVLC-JQWIXIFHSA-N -1 3 408.502 -0.502 20 0 HBADHM NC(=O)CNC(=O)c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000029373646 1069186044 /nfs/dbraw/zinc/18/60/44/1069186044.db2.gz ALFUXTFCIIMKHF-UHFFFAOYSA-N -1 3 424.211 -0.847 20 0 HBADHM COc1ccc(C(=O)N[N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC ZINC000029604201 1070687655 /nfs/dbraw/zinc/68/76/55/1070687655.db2.gz BHVQQNCZVDEDAA-UHFFFAOYSA-N -1 3 413.390 -0.276 20 0 HBADHM Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)nc2n(C)c1=O ZINC000029691131 1069043772 /nfs/dbraw/zinc/04/37/72/1069043772.db2.gz VKBWLOYZCZFQHP-UHFFFAOYSA-N -1 3 423.429 -0.064 20 0 HBADHM Cn1c(CC(=O)N[N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2ccccc21 ZINC000029855819 1071353033 /nfs/dbraw/zinc/35/30/33/1071353033.db2.gz FNARAVHHXXRNCJ-UHFFFAOYSA-N -1 3 421.417 -0.477 20 0 HBADHM Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000029856093 1071353484 /nfs/dbraw/zinc/35/34/84/1071353484.db2.gz NVFYKHRCWGRTKJ-UHFFFAOYSA-N -1 3 407.390 -0.337 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000029992845 1069046466 /nfs/dbraw/zinc/04/64/66/1069046466.db2.gz VPMDEBUOLQRHJZ-JTQLQIEISA-N -1 3 408.502 -0.502 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1cccnc1N1CCOCC1 ZINC000030311315 1069046581 /nfs/dbraw/zinc/04/65/81/1069046581.db2.gz BKELNXUVYHHVSM-UHFFFAOYSA-N -1 3 424.255 -0.153 20 0 HBADHM Cn1c2ncn(CCC(=O)OCC(=O)[N-]C(=O)c3cccs3)c2c(=O)n(C)c1=O ZINC000030405567 1071552773 /nfs/dbraw/zinc/55/27/73/1071552773.db2.gz KJAQKZBFRBRRMX-UHFFFAOYSA-N -1 3 419.419 -0.615 20 0 HBADHM Cn1cc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCC2)c(=O)n(C)c1=O ZINC000030432074 1068915690 /nfs/dbraw/zinc/91/56/90/1068915690.db2.gz UTECXSZVPXJAMS-UHFFFAOYSA-N -1 3 402.542 -0.276 20 0 HBADHM Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)cnc2n(C)c1=O ZINC000030660909 1069047970 /nfs/dbraw/zinc/04/79/70/1069047970.db2.gz UJBPFRTUDHYRMI-UHFFFAOYSA-N -1 3 423.429 -0.064 20 0 HBADHM Cc1nc(C)c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(=O)[n-]1 ZINC000031206878 1070315614 /nfs/dbraw/zinc/31/56/14/1070315614.db2.gz GSWSBFXASXFMIB-UHFFFAOYSA-N -1 3 407.452 -0.359 20 0 HBADHM Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000031223929 1070319845 /nfs/dbraw/zinc/31/98/45/1070319845.db2.gz KQJMNJGOPNFRCK-UHFFFAOYSA-N -1 3 421.479 -0.294 20 0 HBADHM CCN(CC)C(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000031502721 1069052547 /nfs/dbraw/zinc/05/25/47/1069052547.db2.gz BFBBWAPMDWDIOU-UHFFFAOYSA-N -1 3 416.276 -0.095 20 0 HBADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032253482 1069055012 /nfs/dbraw/zinc/05/50/12/1069055012.db2.gz ZRMVNSKHAVYQNX-LLVKDONJSA-N -1 3 421.479 -0.026 20 0 HBADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000032253485 1069055791 /nfs/dbraw/zinc/05/57/91/1069055791.db2.gz ZRMVNSKHAVYQNX-NSHDSACASA-N -1 3 421.479 -0.026 20 0 HBADHM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]NC(=O)[C@H]1CCCO1 ZINC000032259658 1071669888 /nfs/dbraw/zinc/66/98/88/1071669888.db2.gz FDNLPRWYBYRJRP-OAHLLOKOSA-N -1 3 413.452 -0.344 20 0 HBADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)o1 ZINC000032976765 1069059137 /nfs/dbraw/zinc/05/91/37/1069059137.db2.gz YZPAHOCOGSHIFT-UHFFFAOYSA-N -1 3 408.484 -0.080 20 0 HBADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)n1 ZINC000041403604 1069062586 /nfs/dbraw/zinc/06/25/86/1069062586.db2.gz QEFUSOPQNWFIMS-UHFFFAOYSA-N -1 3 407.452 -0.397 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1nnc2n1CCCCC2 ZINC000042765781 1069080048 /nfs/dbraw/zinc/08/00/48/1069080048.db2.gz IWCHXCOYDLJEGL-UHFFFAOYSA-N -1 3 411.260 -0.024 20 0 HBADHM COc1ccc(C(=O)NNC(=O)COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1OC ZINC000046412385 1070916219 /nfs/dbraw/zinc/91/62/19/1070916219.db2.gz WNDMFYQYMGDOAW-UHFFFAOYSA-N -1 3 418.406 -0.049 20 0 HBADHM Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)o1 ZINC000046413553 1070917315 /nfs/dbraw/zinc/91/73/15/1070917315.db2.gz OHJBDURPPVPEMF-UHFFFAOYSA-N -1 3 414.422 -0.011 20 0 HBADHM Cc1nc(C)c(CC(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c(=O)[n-]1 ZINC000046414567 1070917039 /nfs/dbraw/zinc/91/70/39/1070917039.db2.gz NYXQLHKECYYXLU-ZDUSSCGKSA-N -1 3 400.439 0.000 20 0 HBADHM Cc1nc(C)c(CC(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c(=O)[n-]1 ZINC000046414569 1070917094 /nfs/dbraw/zinc/91/70/94/1070917094.db2.gz NYXQLHKECYYXLU-CYBMUJFWSA-N -1 3 400.439 0.000 20 0 HBADHM Cc1nc(C)c(CC(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(=O)[n-]1 ZINC000046416709 1070924836 /nfs/dbraw/zinc/92/48/36/1070924836.db2.gz MQXBZUNORNRGCI-UHFFFAOYSA-N -1 3 419.438 -0.546 20 0 HBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1CCN(c2ncccn2)CC1 ZINC000047118813 1069155524 /nfs/dbraw/zinc/15/55/24/1069155524.db2.gz ZMFGQYHAWADCOV-UHFFFAOYSA-N -1 3 409.244 -0.126 20 0 HBADHM COc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c([O-])c1 ZINC000047278261 1069432715 /nfs/dbraw/zinc/43/27/15/1069432715.db2.gz PBIPFSLQZRIZAD-ZDUSSCGKSA-N -1 3 418.493 -0.325 20 0 HBADHM 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20 0 HBADHM COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436871070 1070013495 /nfs/dbraw/zinc/01/34/95/1070013495.db2.gz PDYXLYNNAJRCQB-UHFFFAOYSA-N -1 3 402.411 -0.259 20 0 HBADHM O=C(NCCNC(=O)c1ccc([O-])cc1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000436871599 1070013535 /nfs/dbraw/zinc/01/35/35/1070013535.db2.gz QRMCBMMUBAVIQF-UHFFFAOYSA-N -1 3 413.369 -0.008 20 0 HBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436874127 1070013575 /nfs/dbraw/zinc/01/35/75/1070013575.db2.gz PLXAIVRBDDNUOU-CYBMUJFWSA-N -1 3 421.479 -0.223 20 0 HBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436874129 1070013819 /nfs/dbraw/zinc/01/38/19/1070013819.db2.gz PLXAIVRBDDNUOU-ZDUSSCGKSA-N -1 3 421.479 -0.223 20 0 HBADHM CS(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436874797 1070014501 /nfs/dbraw/zinc/01/45/01/1070014501.db2.gz RNVOKPRQTPMGQC-UHFFFAOYSA-N -1 3 410.496 -0.746 20 0 HBADHM 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ZINC000574699031 1070936624 /nfs/dbraw/zinc/93/66/24/1070936624.db2.gz JMMGGFYFRYZQEG-UHFFFAOYSA-N -1 3 412.472 -0.263 20 0 HBADHM COc1ccc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000576128764 1069641894 /nfs/dbraw/zinc/64/18/94/1069641894.db2.gz YSIKLEAHZKMDFA-UHFFFAOYSA-N -1 3 415.378 -0.203 20 0 HBADHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1 ZINC000576438882 1069678896 /nfs/dbraw/zinc/67/88/96/1069678896.db2.gz WMCFZRBGYZLYIR-AWEZNQCLSA-N -1 3 420.495 -0.224 20 0 HBADHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1 ZINC000576438883 1069678188 /nfs/dbraw/zinc/67/81/88/1069678188.db2.gz WMCFZRBGYZLYIR-CQSZACIVSA-N -1 3 420.495 -0.224 20 0 HBADHM CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n[n-]1 ZINC000579537667 1070691866 /nfs/dbraw/zinc/69/18/66/1070691866.db2.gz VOEKFQVBTLNJFX-UHFFFAOYSA-N -1 3 409.424 0.462 20 0 HBADHM CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)[n-]n1 ZINC000579537667 1070691858 /nfs/dbraw/zinc/69/18/58/1070691858.db2.gz VOEKFQVBTLNJFX-UHFFFAOYSA-N -1 3 409.424 0.462 20 0 HBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)c1 ZINC000580214284 1068383214 /nfs/dbraw/zinc/38/32/14/1068383214.db2.gz QBKFVVDAUWYJDQ-CMPLNLGQSA-N -1 3 406.461 -0.870 20 0 HBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(F)c1 ZINC000580214285 1068382947 /nfs/dbraw/zinc/38/29/47/1068382947.db2.gz QBKFVVDAUWYJDQ-JQWIXIFHSA-N -1 3 406.461 -0.870 20 0 HBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(F)c1 ZINC000580214286 1068382851 /nfs/dbraw/zinc/38/28/51/1068382851.db2.gz QBKFVVDAUWYJDQ-PWSUYJOCSA-N -1 3 406.461 -0.870 20 0 HBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(F)c1 ZINC000580214287 1069021151 /nfs/dbraw/zinc/02/11/51/1069021151.db2.gz QBKFVVDAUWYJDQ-ZYHUDNBSSA-N -1 3 406.461 -0.870 20 0 HBADHM CN(C)S(=O)(=O)n1ccnc1CNCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000580264676 1068385840 /nfs/dbraw/zinc/38/58/40/1068385840.db2.gz JJIJRNJLPUSWTO-UHFFFAOYSA-N -1 3 423.467 -0.116 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000580682070 1072210764 /nfs/dbraw/zinc/21/07/64/1072210764.db2.gz ZKAULMQSWMLVMI-UHFFFAOYSA-N -1 3 420.513 -0.357 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000580682643 1068420832 /nfs/dbraw/zinc/42/08/32/1068420832.db2.gz VTLJYBWTLDWFRX-CYBMUJFWSA-N -1 3 422.529 -0.300 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000580682644 1068420838 /nfs/dbraw/zinc/42/08/38/1068420838.db2.gz VTLJYBWTLDWFRX-ZDUSSCGKSA-N -1 3 422.529 -0.300 20 0 HBADHM NS(=O)(=O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000580777673 1068429698 /nfs/dbraw/zinc/42/96/98/1068429698.db2.gz CUWGVRCAHOKDFD-UHFFFAOYSA-N -1 3 406.305 -0.806 20 0 HBADHM Cn1c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc2c1n(C)c(=O)n(C)c2=O ZINC000581225062 1068469570 /nfs/dbraw/zinc/46/95/70/1068469570.db2.gz PFSVBWHWWZWGSE-UHFFFAOYSA-N -1 3 412.406 -0.276 20 0 HBADHM COc1ccnc(N2CCN(C(=O)C[N-]S(=O)(=O)c3c(C)noc3C)CC2)n1 ZINC000581458791 1068491475 /nfs/dbraw/zinc/49/14/75/1068491475.db2.gz LXNKQIHHXZQNLV-UHFFFAOYSA-N -1 3 410.456 -0.283 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000581949127 1068546179 /nfs/dbraw/zinc/54/61/79/1068546179.db2.gz PBKOHIOXAKXVQP-UHFFFAOYSA-N -1 3 408.502 -0.642 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000582032008 1069077900 /nfs/dbraw/zinc/07/79/00/1069077900.db2.gz MTWGRVFZIYWYAV-UHFFFAOYSA-N -1 3 408.440 -0.460 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000582153511 1068665626 /nfs/dbraw/zinc/66/56/26/1068665626.db2.gz WZIWJJRRZJNICV-GFCCVEGCSA-N -1 3 408.502 -0.502 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000582153512 1068665755 /nfs/dbraw/zinc/66/57/55/1068665755.db2.gz WZIWJJRRZJNICV-LBPRGKRZSA-N -1 3 408.502 -0.502 20 0 HBADHM CCOC(=O)CN1CCCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000582210875 1068670848 /nfs/dbraw/zinc/67/08/48/1068670848.db2.gz MPDGLCGGTKOYKD-UHFFFAOYSA-N -1 3 402.473 -0.333 20 0 HBADHM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000582220179 1068671684 /nfs/dbraw/zinc/67/16/84/1068671684.db2.gz HFWOUCISDNQUNY-LLVKDONJSA-N -1 3 408.274 -0.004 20 0 HBADHM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000582220180 1068671770 /nfs/dbraw/zinc/67/17/70/1068671770.db2.gz HFWOUCISDNQUNY-NSHDSACASA-N -1 3 408.274 -0.004 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000582331767 1068680472 /nfs/dbraw/zinc/68/04/72/1068680472.db2.gz GAOCQUBEJXMYHO-CYBMUJFWSA-N -1 3 407.452 -0.004 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000582331768 1068680406 /nfs/dbraw/zinc/68/04/06/1068680406.db2.gz GAOCQUBEJXMYHO-ZDUSSCGKSA-N -1 3 407.452 -0.004 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000582457868 1068695770 /nfs/dbraw/zinc/69/57/70/1068695770.db2.gz JREFDNDSSNWADZ-UHFFFAOYSA-N -1 3 413.456 -0.449 20 0 HBADHM COC(=O)[C@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000582637338 1068714668 /nfs/dbraw/zinc/71/46/68/1068714668.db2.gz CTXOKQGNWAQFMA-LLVKDONJSA-N -1 3 415.287 -0.171 20 0 HBADHM COC(=O)[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000582637339 1068714504 /nfs/dbraw/zinc/71/45/04/1068714504.db2.gz CTXOKQGNWAQFMA-NSHDSACASA-N -1 3 415.287 -0.171 20 0 HBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000583536256 1068793914 /nfs/dbraw/zinc/79/39/14/1068793914.db2.gz BNGPOEUQARFIPK-UHFFFAOYSA-N -1 3 401.474 -0.648 20 0 HBADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CN2CCOCC2)C(=O)OC)s1 ZINC000583544175 1068794590 /nfs/dbraw/zinc/79/45/90/1068794590.db2.gz OTSLUDOEXSMIQK-JTQLQIEISA-N -1 3 422.481 -0.305 20 0 HBADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CN2CCOCC2)C(=O)OC)s1 ZINC000583544176 1068794504 /nfs/dbraw/zinc/79/45/04/1068794504.db2.gz 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CC(=O)N1CCOC[C@@]2(CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)C1 ZINC001185578601 1071521186 /nfs/dbraw/zinc/52/11/86/1071521186.db2.gz KYPLWZVTWREROM-KRWDZBQOSA-N -1 3 422.467 -0.495 20 0 HBADHM CC(=O)N1CCOC[C@]2(CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)C1 ZINC001185578602 1071521318 /nfs/dbraw/zinc/52/13/18/1071521318.db2.gz KYPLWZVTWREROM-QGZVFWFLSA-N -1 3 422.467 -0.495 20 0 HBADHM CC(=O)N1CCOC[C@]2(CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)C1 ZINC001185578602 1071521309 /nfs/dbraw/zinc/52/13/09/1071521309.db2.gz KYPLWZVTWREROM-QGZVFWFLSA-N -1 3 422.467 -0.495 20 0 HBADHM CC(=O)NCc1nnn2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC001185579008 1071521484 /nfs/dbraw/zinc/52/14/84/1071521484.db2.gz SJNVUXRWYJMGSD-UHFFFAOYSA-N -1 3 417.455 -0.311 20 0 HBADHM CC(=O)NCc1nnn2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC001185579008 1071521480 /nfs/dbraw/zinc/52/14/80/1071521480.db2.gz SJNVUXRWYJMGSD-UHFFFAOYSA-N -1 3 417.455 -0.311 20 0 HBADHM CN1CCN(C)C2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC001185579144 1071521410 /nfs/dbraw/zinc/52/14/10/1071521410.db2.gz UHVWLBOVYDADPN-UHFFFAOYSA-N -1 3 405.484 -0.206 20 0 HBADHM CN1CCN(C)C2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1=O ZINC001185579144 1071521401 /nfs/dbraw/zinc/52/14/01/1071521401.db2.gz UHVWLBOVYDADPN-UHFFFAOYSA-N -1 3 405.484 -0.206 20 0 HBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001185579603 1071521462 /nfs/dbraw/zinc/52/14/62/1071521462.db2.gz YVEPZEOIWRQTFQ-CABCVRRESA-N -1 3 414.451 -0.065 20 0 HBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001185579603 1071521460 /nfs/dbraw/zinc/52/14/60/1071521460.db2.gz YVEPZEOIWRQTFQ-CABCVRRESA-N -1 3 414.451 -0.065 20 0 HBADHM CC(=O)N1CCO[C@]2(C1)COCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185581810 1071521837 /nfs/dbraw/zinc/52/18/37/1071521837.db2.gz CMGPNWJEUCGSMQ-KRWDZBQOSA-N -1 3 422.467 -0.495 20 0 HBADHM CC(=O)N1CCO[C@]2(C1)COCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185581810 1071521828 /nfs/dbraw/zinc/52/18/28/1071521828.db2.gz CMGPNWJEUCGSMQ-KRWDZBQOSA-N -1 3 422.467 -0.495 20 0 HBADHM CC(=O)N1CCO[C@@]2(C1)COCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185581811 1071522091 /nfs/dbraw/zinc/52/20/91/1071522091.db2.gz CMGPNWJEUCGSMQ-QGZVFWFLSA-N -1 3 422.467 -0.495 20 0 HBADHM CC(=O)N1CCO[C@@]2(C1)COCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185581811 1071522087 /nfs/dbraw/zinc/52/20/87/1071522087.db2.gz CMGPNWJEUCGSMQ-QGZVFWFLSA-N -1 3 422.467 -0.495 20 0 HBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCN2CCOCC2)CC1 ZINC001185583096 1071522138 /nfs/dbraw/zinc/52/21/38/1071522138.db2.gz KCAXMXOVEPKUSZ-UHFFFAOYSA-N -1 3 407.500 -0.495 20 0 HBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCN2CCOCC2)CC1 ZINC001185583096 1071522131 /nfs/dbraw/zinc/52/21/31/1071522131.db2.gz KCAXMXOVEPKUSZ-UHFFFAOYSA-N -1 3 407.500 -0.495 20 0 HBADHM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185584031 1071519038 /nfs/dbraw/zinc/51/90/38/1071519038.db2.gz QZOZZVDYOGFCAZ-CMPLNLGQSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185584031 1071519029 /nfs/dbraw/zinc/51/90/29/1071519029.db2.gz QZOZZVDYOGFCAZ-CMPLNLGQSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185584036 1071519011 /nfs/dbraw/zinc/51/90/11/1071519011.db2.gz QZOZZVDYOGFCAZ-JQWIXIFHSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185584036 1071518997 /nfs/dbraw/zinc/51/89/97/1071518997.db2.gz QZOZZVDYOGFCAZ-JQWIXIFHSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185584037 1071519271 /nfs/dbraw/zinc/51/92/71/1071519271.db2.gz QZOZZVDYOGFCAZ-PWSUYJOCSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185584037 1071519263 /nfs/dbraw/zinc/51/92/63/1071519263.db2.gz QZOZZVDYOGFCAZ-PWSUYJOCSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@H]1SC[C@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185584038 1071518804 /nfs/dbraw/zinc/51/88/04/1071518804.db2.gz QZOZZVDYOGFCAZ-ZYHUDNBSSA-N -1 3 413.437 -0.355 20 0 HBADHM COC(=O)[C@H]1SC[C@H](C(=O)OC)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185584038 1071518794 /nfs/dbraw/zinc/51/87/94/1071518794.db2.gz QZOZZVDYOGFCAZ-ZYHUDNBSSA-N -1 3 413.437 -0.355 20 0 HBADHM Cn1cc(N2C[C@@H]3CN(S(=O)(=O)c4ccc(-c5nn[n-]n5)cc4)C[C@@H]3C2=O)cn1 ZINC001185584910 1071519731 /nfs/dbraw/zinc/51/97/31/1071519731.db2.gz XHPXCAOGSPMORF-WFASDCNBSA-N -1 3 414.451 -0.116 20 0 HBADHM Cn1cc(N2C[C@@H]3CN(S(=O)(=O)c4ccc(-c5nnn[n-]5)cc4)C[C@@H]3C2=O)cn1 ZINC001185584910 1071519721 /nfs/dbraw/zinc/51/97/21/1071519721.db2.gz XHPXCAOGSPMORF-WFASDCNBSA-N -1 3 414.451 -0.116 20 0 HBADHM O=C(CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1 ZINC001185584971 1071520075 /nfs/dbraw/zinc/52/00/75/1071520075.db2.gz ZXKFOOWFDFCUJZ-UHFFFAOYSA-N -1 3 405.484 -0.205 20 0 HBADHM O=C(CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCCC1 ZINC001185584971 1071520070 /nfs/dbraw/zinc/52/00/70/1071520070.db2.gz ZXKFOOWFDFCUJZ-UHFFFAOYSA-N -1 3 405.484 -0.205 20 0 HBADHM CN(C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC001185587908 1071520019 /nfs/dbraw/zinc/52/00/19/1071520019.db2.gz BCPNVHLHAMITOV-UHFFFAOYSA-N -1 3 400.486 -0.089 20 0 HBADHM CN(C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)S(C)(=O)=O ZINC001185587908 1071520012 /nfs/dbraw/zinc/52/00/12/1071520012.db2.gz BCPNVHLHAMITOV-UHFFFAOYSA-N -1 3 400.486 -0.089 20 0 HBADHM CCOC(=O)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185587917 1071519690 /nfs/dbraw/zinc/51/96/90/1071519690.db2.gz BKFDYGLFGHTWGN-UHFFFAOYSA-N -1 3 404.412 -0.161 20 0 HBADHM CCOC(=O)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185587917 1071519677 /nfs/dbraw/zinc/51/96/77/1071519677.db2.gz BKFDYGLFGHTWGN-UHFFFAOYSA-N -1 3 404.412 -0.161 20 0 HBADHM NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185588077 1071519979 /nfs/dbraw/zinc/51/99/79/1071519979.db2.gz GOXXHUBDEGLSCM-UHFFFAOYSA-N -1 3 414.451 -0.129 20 0 HBADHM NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185588077 1071519973 /nfs/dbraw/zinc/51/99/73/1071519973.db2.gz GOXXHUBDEGLSCM-UHFFFAOYSA-N -1 3 414.451 -0.129 20 0 HBADHM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)OC)C1 ZINC001185588892 1071519889 /nfs/dbraw/zinc/51/98/89/1071519889.db2.gz IEUQEGAPDPQXHG-YPMHNXCESA-N -1 3 409.424 -0.018 20 0 HBADHM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)OC)C1 ZINC001185588892 1071519880 /nfs/dbraw/zinc/51/98/80/1071519880.db2.gz IEUQEGAPDPQXHG-YPMHNXCESA-N -1 3 409.424 -0.018 20 0 HBADHM COC(=O)[C@H]1C[C@H](C(=O)OC)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185589018 1071519845 /nfs/dbraw/zinc/51/98/45/1071519845.db2.gz KTHSLVMXUZHHFJ-RYUDHWBXSA-N -1 3 409.424 -0.161 20 0 HBADHM COC(=O)[C@H]1C[C@H](C(=O)OC)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185589018 1071519832 /nfs/dbraw/zinc/51/98/32/1071519832.db2.gz KTHSLVMXUZHHFJ-RYUDHWBXSA-N -1 3 409.424 -0.161 20 0 HBADHM COC(=O)[C@@H]1C[C@H](C(=O)OC)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185589022 1071520089 /nfs/dbraw/zinc/52/00/89/1071520089.db2.gz KTHSLVMXUZHHFJ-TXEJJXNPSA-N -1 3 409.424 -0.161 20 0 HBADHM COC(=O)[C@@H]1C[C@H](C(=O)OC)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185589022 1071520085 /nfs/dbraw/zinc/52/00/85/1071520085.db2.gz KTHSLVMXUZHHFJ-TXEJJXNPSA-N -1 3 409.424 -0.161 20 0 HBADHM COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185589025 1071520114 /nfs/dbraw/zinc/52/01/14/1071520114.db2.gz KTHSLVMXUZHHFJ-VXGBXAGGSA-N -1 3 409.424 -0.161 20 0 HBADHM COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185589025 1071520110 /nfs/dbraw/zinc/52/01/10/1071520110.db2.gz KTHSLVMXUZHHFJ-VXGBXAGGSA-N -1 3 409.424 -0.161 20 0 HBADHM CS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185589421 1071519952 /nfs/dbraw/zinc/51/99/52/1071519952.db2.gz WVAYUHGELBUSBF-UHFFFAOYSA-N -1 3 414.513 -0.392 20 0 HBADHM CS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185589421 1071519943 /nfs/dbraw/zinc/51/99/43/1071519943.db2.gz WVAYUHGELBUSBF-UHFFFAOYSA-N -1 3 414.513 -0.392 20 0 HBADHM O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)N1 ZINC001185593837 1071520041 /nfs/dbraw/zinc/52/00/41/1071520041.db2.gz XJVVEVKISKOAEN-SOSAQKQKSA-N -1 3 403.424 -0.240 20 0 HBADHM O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)N1 ZINC001185593837 1071520035 /nfs/dbraw/zinc/52/00/35/1071520035.db2.gz XJVVEVKISKOAEN-SOSAQKQKSA-N -1 3 403.424 -0.240 20 0 HBADHM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCCC1 ZINC001185621681 1071525416 /nfs/dbraw/zinc/52/54/16/1071525416.db2.gz FDGBGHNGCQLYFL-UHFFFAOYSA-N -1 3 400.486 -0.039 20 0 HBADHM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCCC1 ZINC001185621681 1071525403 /nfs/dbraw/zinc/52/54/03/1071525403.db2.gz FDGBGHNGCQLYFL-UHFFFAOYSA-N -1 3 400.486 -0.039 20 0 HBADHM O=S(=O)(NCCOCCOCCOCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC001185622462 1071525464 /nfs/dbraw/zinc/52/54/64/1071525464.db2.gz KVCVLDWTUUOZMI-UHFFFAOYSA-N -1 3 401.445 -0.813 20 0 HBADHM O=S(=O)(NCCOCCOCCOCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC001185622462 1071525455 /nfs/dbraw/zinc/52/54/55/1071525455.db2.gz KVCVLDWTUUOZMI-UHFFFAOYSA-N -1 3 401.445 -0.813 20 0 HBADHM CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185622762 1071526117 /nfs/dbraw/zinc/52/61/17/1071526117.db2.gz POMYRQPCTWKQIJ-UHFFFAOYSA-N -1 3 400.486 -0.041 20 0 HBADHM CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185622762 1071526112 /nfs/dbraw/zinc/52/61/12/1071526112.db2.gz POMYRQPCTWKQIJ-UHFFFAOYSA-N -1 3 400.486 -0.041 20 0 HBADHM COCCOCCOCCOCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185623541 1071525973 /nfs/dbraw/zinc/52/59/73/1071525973.db2.gz JNVZYTBDVQVDMQ-UHFFFAOYSA-N -1 3 415.472 -0.159 20 0 HBADHM COCCOCCOCCOCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185623541 1071525962 /nfs/dbraw/zinc/52/59/62/1071525962.db2.gz JNVZYTBDVQVDMQ-UHFFFAOYSA-N -1 3 415.472 -0.159 20 0 HBADHM O=S(=O)(NCc1ccc(N2CCOCC2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185623887 1071526090 /nfs/dbraw/zinc/52/60/90/1071526090.db2.gz POJMQOXRIZIMAY-UHFFFAOYSA-N -1 3 402.440 -0.028 20 0 HBADHM O=S(=O)(NCc1ccc(N2CCOCC2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185623887 1071526082 /nfs/dbraw/zinc/52/60/82/1071526082.db2.gz POJMQOXRIZIMAY-UHFFFAOYSA-N -1 3 402.440 -0.028 20 0 HBADHM O=S(=O)(NCCCN1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628095 1071521794 /nfs/dbraw/zinc/52/17/94/1071521794.db2.gz IMBRYKQYSWLUGZ-UHFFFAOYSA-N -1 3 400.486 -0.735 20 0 HBADHM O=S(=O)(NCCCN1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628095 1071521786 /nfs/dbraw/zinc/52/17/86/1071521786.db2.gz IMBRYKQYSWLUGZ-UHFFFAOYSA-N -1 3 400.486 -0.735 20 0 HBADHM COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628336 1071522074 /nfs/dbraw/zinc/52/20/74/1071522074.db2.gz NDFQLHIRWNEOMO-GWCFXTLKSA-N -1 3 408.440 -0.303 20 0 HBADHM COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628336 1071522069 /nfs/dbraw/zinc/52/20/69/1071522069.db2.gz NDFQLHIRWNEOMO-GWCFXTLKSA-N -1 3 408.440 -0.303 20 0 HBADHM CCS(=O)(=O)c1cnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001185628857 1071521955 /nfs/dbraw/zinc/52/19/55/1071521955.db2.gz XUJCBUQOMDDFEP-UHFFFAOYSA-N -1 3 409.453 -0.071 20 0 HBADHM CCS(=O)(=O)c1cnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001185628857 1071521950 /nfs/dbraw/zinc/52/19/50/1071521950.db2.gz XUJCBUQOMDDFEP-UHFFFAOYSA-N -1 3 409.453 -0.071 20 0 HBADHM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631498 1071522028 /nfs/dbraw/zinc/52/20/28/1071522028.db2.gz JEVHFSVAGYRAFM-UHFFFAOYSA-N -1 3 400.486 -0.183 20 0 HBADHM CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631498 1071522021 /nfs/dbraw/zinc/52/20/21/1071522021.db2.gz JEVHFSVAGYRAFM-UHFFFAOYSA-N -1 3 400.486 -0.183 20 0 HBADHM CNC(=O)[C@H](CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NC(C)=O ZINC001185637633 1071521986 /nfs/dbraw/zinc/52/19/86/1071521986.db2.gz ICNBWOQHYRLYNS-AWEZNQCLSA-N -1 3 409.472 -0.434 20 0 HBADHM CNC(=O)[C@H](CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NC(C)=O ZINC001185637633 1071521982 /nfs/dbraw/zinc/52/19/82/1071521982.db2.gz ICNBWOQHYRLYNS-AWEZNQCLSA-N -1 3 409.472 -0.434 20 0 HBADHM COC(=O)[C@H](CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NC(C)=O ZINC001185642416 1071521887 /nfs/dbraw/zinc/52/18/87/1071521887.db2.gz QHRBAPBFRSZWNL-AWEZNQCLSA-N -1 3 410.456 -0.007 20 0 HBADHM COC(=O)[C@H](CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NC(C)=O ZINC001185642416 1071521874 /nfs/dbraw/zinc/52/18/74/1071521874.db2.gz QHRBAPBFRSZWNL-AWEZNQCLSA-N -1 3 410.456 -0.007 20 0 HBADHM CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185654869 1071523788 /nfs/dbraw/zinc/52/37/88/1071523788.db2.gz SPWLUXJQTOLGRB-UHFFFAOYSA-N -1 3 401.408 -0.317 20 0 HBADHM CN(CC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185668058 1071527761 /nfs/dbraw/zinc/52/77/61/1071527761.db2.gz TZNSZAZRPIJRGH-UHFFFAOYSA-N -1 3 418.435 -0.872 20 0 HBADHM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCOCC2)c(Br)n1 ZINC001186095120 1071541824 /nfs/dbraw/zinc/54/18/24/1071541824.db2.gz HUBGTWZKHBGIOY-UHFFFAOYSA-N -1 3 417.307 -0.877 20 0 HBADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCOCC2)c(F)c1 ZINC001186095586 1071542008 /nfs/dbraw/zinc/54/20/08/1071542008.db2.gz MNLBZBSJGSIQDP-UHFFFAOYSA-N -1 3 424.472 -0.057 20 0 HBADHM O=S(=O)(CCOCC1CCCC1)[N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001186222435 1071545964 /nfs/dbraw/zinc/54/59/64/1071545964.db2.gz OIYVEKIANZQZMV-CVEARBPZSA-N -1 3 410.558 -0.390 20 0 HBADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001186222436 1071546030 /nfs/dbraw/zinc/54/60/30/1071546030.db2.gz OIYVEKIANZQZMV-HOTGVXAUSA-N -1 3 410.558 -0.390 20 0 HBADHM O=S(=O)(CCOCC1CCCC1)[N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001186222437 1071546334 /nfs/dbraw/zinc/54/63/34/1071546334.db2.gz OIYVEKIANZQZMV-HZPDHXFCSA-N -1 3 410.558 -0.390 20 0 HBADHM O=S(=O)(CCOCC1CCCC1)[N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001186222438 1071545990 /nfs/dbraw/zinc/54/59/90/1071545990.db2.gz OIYVEKIANZQZMV-JKSUJKDBSA-N -1 3 410.558 -0.390 20 0 HBADHM O=S(=O)([N-][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cnc(Cl)c(Br)c1 ZINC001186351188 1071547635 /nfs/dbraw/zinc/54/76/35/1071547635.db2.gz RXTBZVDVKRTYRU-KBHCAIDQSA-N -1 3 401.666 -0.122 20 0 HBADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186624990 1071555214 /nfs/dbraw/zinc/55/52/14/1071555214.db2.gz BCCQKZWNLACUHW-GUBZILKMSA-N -1 3 410.431 -0.941 20 0 HBADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186624990 1071555198 /nfs/dbraw/zinc/55/51/98/1071555198.db2.gz BCCQKZWNLACUHW-GUBZILKMSA-N -1 3 410.431 -0.941 20 0 HBADHM CCOC(=O)c1cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)n[n-]1 ZINC001186625192 1071555309 /nfs/dbraw/zinc/55/53/09/1071555309.db2.gz HIKBVOBDKVWRFQ-GUBZILKMSA-N -1 3 410.431 -0.941 20 0 HBADHM CCOC(=O)c1cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[n-]n1 ZINC001186625192 1071555306 /nfs/dbraw/zinc/55/53/06/1071555306.db2.gz HIKBVOBDKVWRFQ-GUBZILKMSA-N -1 3 410.431 -0.941 20 0 HBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001186625499 1071555899 /nfs/dbraw/zinc/55/58/99/1071555899.db2.gz PHHMCHUFYAWVDO-ACZMJKKPSA-N -1 3 407.353 -0.704 20 0 HBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001186625499 1071555893 /nfs/dbraw/zinc/55/58/93/1071555893.db2.gz PHHMCHUFYAWVDO-ACZMJKKPSA-N -1 3 407.353 -0.704 20 0 HBADHM CCOC(=O)c1nc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)c[n-]1 ZINC001186628634 1071557328 /nfs/dbraw/zinc/55/73/28/1071557328.db2.gz ZMPBYXXFHJBJNY-GUBZILKMSA-N -1 3 410.431 -0.941 20 0 HBADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[n-]1 ZINC001186628634 1071557317 /nfs/dbraw/zinc/55/73/17/1071557317.db2.gz ZMPBYXXFHJBJNY-GUBZILKMSA-N -1 3 410.431 -0.941 20 0 HBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001186636847 1071569406 /nfs/dbraw/zinc/56/94/06/1071569406.db2.gz UETUVMKOBDAGBN-DCAQKATOSA-N -1 3 416.442 -0.661 20 0 HBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001186636847 1071569401 /nfs/dbraw/zinc/56/94/01/1071569401.db2.gz UETUVMKOBDAGBN-DCAQKATOSA-N -1 3 416.442 -0.661 20 0 HBADHM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC001186663167 1071575487 /nfs/dbraw/zinc/57/54/87/1071575487.db2.gz FBJKDNWSPVYQRC-KBPBESRZSA-N -1 3 403.439 -0.156 20 0 HBADHM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001186663310 1071575441 /nfs/dbraw/zinc/57/54/41/1071575441.db2.gz HSLYEQYERHQJHJ-KBPBESRZSA-N -1 3 418.454 -0.453 20 0 HBADHM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cncc([O-])c1 ZINC001186663623 1071575994 /nfs/dbraw/zinc/57/59/94/1071575994.db2.gz NPMBGYKTNPJWMN-HOTGVXAUSA-N -1 3 403.439 -0.156 20 0 HBADHM CN(C)CCCS(=O)(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC001186665944 1071563861 /nfs/dbraw/zinc/56/38/61/1071563861.db2.gz DUNOGONMIWKPDC-UHFFFAOYSA-N -1 3 420.337 -0.218 20 0 HBADHM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC001186670450 1071566593 /nfs/dbraw/zinc/56/65/93/1071566593.db2.gz JMLPTRZQWJYCDN-HOTGVXAUSA-N -1 3 417.466 -0.479 20 0 HBADHM O=S(=O)([N-]CCOCCOCCOCCOCCOCCO)c1ccco1 ZINC001186874738 1071580589 /nfs/dbraw/zinc/58/05/89/1071580589.db2.gz DAXJZPPIJCOZCV-UHFFFAOYSA-N -1 3 411.473 -0.367 20 0 HBADHM C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccco1)C(N)=O ZINC001186887459 1071580838 /nfs/dbraw/zinc/58/08/38/1071580838.db2.gz XUUHPADFFWLFJB-DGFSRKRXSA-N -1 3 411.436 -0.774 20 0 HBADHM CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC001186999533 1071582859 /nfs/dbraw/zinc/58/28/59/1071582859.db2.gz MVYOSKZDFFIHPV-UHFFFAOYSA-N -1 3 411.426 -0.281 20 0 HBADHM CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccccc1-c1nnn[n-]1)C2 ZINC001186999533 1071582852 /nfs/dbraw/zinc/58/28/52/1071582852.db2.gz MVYOSKZDFFIHPV-UHFFFAOYSA-N -1 3 411.426 -0.281 20 0 HBADHM Cc1cn([C@H]2C[C@H](NC(=O)c3ccccc3-c3nn[n-]n3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001187015923 1071582425 /nfs/dbraw/zinc/58/24/25/1071582425.db2.gz JJUKWFWPTKEOIX-BFHYXJOUSA-N -1 3 413.394 -0.484 20 0 HBADHM Cc1cn([C@H]2C[C@H](NC(=O)c3ccccc3-c3nnn[n-]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001187015923 1071582418 /nfs/dbraw/zinc/58/24/18/1071582418.db2.gz JJUKWFWPTKEOIX-BFHYXJOUSA-N -1 3 413.394 -0.484 20 0 HBADHM CCOC(=O)C1(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@H]2CCCCO2)CCC1 ZINC001187030398 1071582964 /nfs/dbraw/zinc/58/29/64/1071582964.db2.gz ZQHYYWPNSSFLCQ-CYBMUJFWSA-N -1 3 412.530 -0.120 20 0 HBADHM CCOC(=O)C1(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@@H]2CCCCO2)CCC1 ZINC001187030399 1071582924 /nfs/dbraw/zinc/58/29/24/1071582924.db2.gz ZQHYYWPNSSFLCQ-ZDUSSCGKSA-N -1 3 412.530 -0.120 20 0 HBADHM CS(=O)(=O)N1CC(CS(=O)(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001187316645 1071588854 /nfs/dbraw/zinc/58/88/54/1071588854.db2.gz BJNAIKJIHYTZNC-UHFFFAOYSA-N -1 3 417.509 -0.629 20 0 HBADHM COC(=O)[C@H](CCCC[N-]S(=O)(=O)c1cnoc1C)NC(=O)CNC(C)=O ZINC001187422550 1071589858 /nfs/dbraw/zinc/58/98/58/1071589858.db2.gz NXYDJICAEQGUPR-LBPRGKRZSA-N -1 3 404.445 -0.774 20 0 HBADHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC001187634656 1071597189 /nfs/dbraw/zinc/59/71/89/1071597189.db2.gz SNPXYWMDGAPMAR-CHWSQXEVSA-N -1 3 404.514 -0.422 20 0 HBADHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC001187634657 1071597092 /nfs/dbraw/zinc/59/70/92/1071597092.db2.gz SNPXYWMDGAPMAR-OLZOCXBDSA-N -1 3 404.514 -0.422 20 0 HBADHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC001187634659 1071597025 /nfs/dbraw/zinc/59/70/25/1071597025.db2.gz SNPXYWMDGAPMAR-QWHCGFSZSA-N -1 3 404.514 -0.422 20 0 HBADHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)C2=O)n(C)n1 ZINC001187634660 1071597608 /nfs/dbraw/zinc/59/76/08/1071597608.db2.gz SNPXYWMDGAPMAR-STQMWFEESA-N -1 3 404.514 -0.422 20 0 HBADHM C[C@@H]1O[C@@H](OCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)[C@@H](O)[C@H](O)[C@@H]1O ZINC001187992946 1071600835 /nfs/dbraw/zinc/60/08/35/1071600835.db2.gz ZPIIBHLENOVJNT-BZSGYBMISA-N -1 3 417.267 -0.489 20 0 HBADHM C[C@@H]1O[C@@H](OCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001188097755 1071601968 /nfs/dbraw/zinc/60/19/68/1071601968.db2.gz UUIHAKWJKWCXCQ-BZSGYBMISA-N -1 3 417.267 -0.489 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]Cc2ccc(C(N)=O)nc2)c1I ZINC001188103606 1071602040 /nfs/dbraw/zinc/60/20/40/1071602040.db2.gz RKOBZUSWMDRLPE-UHFFFAOYSA-N -1 3 421.220 -0.003 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(N)=O)O2)c1I ZINC001188124066 1071602598 /nfs/dbraw/zinc/60/25/98/1071602598.db2.gz BPBFZJGNDQAWGZ-BQBZGAKWSA-N -1 3 414.225 -0.664 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(N)=O)O2)c1I ZINC001188124067 1071602506 /nfs/dbraw/zinc/60/25/06/1071602506.db2.gz BPBFZJGNDQAWGZ-NKWVEPMBSA-N -1 3 414.225 -0.664 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)O2)c1I ZINC001188124068 1071602562 /nfs/dbraw/zinc/60/25/62/1071602562.db2.gz BPBFZJGNDQAWGZ-RNFRBKRXSA-N -1 3 414.225 -0.664 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(N)=O)O2)c1I ZINC001188124069 1071602470 /nfs/dbraw/zinc/60/24/70/1071602470.db2.gz BPBFZJGNDQAWGZ-RQJHMYQMSA-N -1 3 414.225 -0.664 20 0 HBADHM COC[C@](C)([N-]S(=O)(=O)c1cnn(C)c1I)C(=O)OC ZINC001188163978 1071602487 /nfs/dbraw/zinc/60/24/87/1071602487.db2.gz LFSJEDKFOZPVSN-JTQLQIEISA-N -1 3 417.225 -0.119 20 0 HBADHM COC[C@@](C)([N-]S(=O)(=O)c1cnn(C)c1I)C(=O)OC ZINC001188163981 1071603144 /nfs/dbraw/zinc/60/31/44/1071603144.db2.gz LFSJEDKFOZPVSN-SNVBAGLBSA-N -1 3 417.225 -0.119 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c1Br ZINC001188373414 1071606517 /nfs/dbraw/zinc/60/65/17/1071606517.db2.gz OYKFBMUJSUNOGQ-MRVPVSSYSA-N -1 3 401.308 -0.115 20 0 HBADHM COCC[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(N)=O ZINC001188586400 1071611754 /nfs/dbraw/zinc/61/17/54/1071611754.db2.gz HEFHAAILYZMHJD-LURJTMIESA-N -1 3 402.214 -0.807 20 0 HBADHM COCC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(N)=O ZINC001188586407 1071611765 /nfs/dbraw/zinc/61/17/65/1071611765.db2.gz HEFHAAILYZMHJD-ZCFIWIBFSA-N -1 3 402.214 -0.807 20 0 HBADHM NC(=O)c1cc(S(=O)(=O)[N-]CC(=O)N2CCOCC2)c(Br)cc1F ZINC001188697353 1071612947 /nfs/dbraw/zinc/61/29/47/1071612947.db2.gz BKZWRDGXYRYHJT-UHFFFAOYSA-N -1 3 424.248 -0.176 20 0 HBADHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC ZINC001188906933 1071615569 /nfs/dbraw/zinc/61/55/69/1071615569.db2.gz DANYWKADBJAYAC-KKUMJFAQSA-N -1 3 416.452 -0.524 20 0 HBADHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC ZINC001188906934 1071615594 /nfs/dbraw/zinc/61/55/94/1071615594.db2.gz DANYWKADBJAYAC-RRFJBIMHSA-N -1 3 416.452 -0.524 20 0 HBADHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC ZINC001188906936 1071615526 /nfs/dbraw/zinc/61/55/26/1071615526.db2.gz DANYWKADBJAYAC-SOUVJXGZSA-N -1 3 416.452 -0.524 20 0 HBADHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC ZINC001188906937 1071615620 /nfs/dbraw/zinc/61/56/20/1071615620.db2.gz DANYWKADBJAYAC-ZNMIVQPWSA-N -1 3 416.452 -0.524 20 0 HBADHM NS(=O)(=O)c1cc(S(N)(=O)=O)c([N-]C(=O)c2ccc(CO)o2)cc1Cl ZINC001189154532 1071619196 /nfs/dbraw/zinc/61/91/96/1071619196.db2.gz RHXPVPYDLHQKJU-UHFFFAOYSA-N -1 3 409.829 -0.028 20 0 HBADHM O=C(Cn1cc(I)c(=O)[n-]c1=O)N1CCC2(CC1)OCCO2 ZINC001189348319 1071620804 /nfs/dbraw/zinc/62/08/04/1071620804.db2.gz NAFKIRGNXHUFET-UHFFFAOYSA-N -1 3 421.191 -0.081 20 0 HBADHM 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NFGGXHZVLRKSFW-UHFFFAOYSA-N -1 3 418.476 -0.163 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]CCCn2cccnc2=O)c1I ZINC001191943914 1071661699 /nfs/dbraw/zinc/66/16/99/1071661699.db2.gz RWZWBXMHTKJHNY-UHFFFAOYSA-N -1 3 423.236 -0.050 20 0 HBADHM O=c1cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc(C2CC2)[n-]1 ZINC001192081356 1071664068 /nfs/dbraw/zinc/66/40/68/1071664068.db2.gz WXRYPEGDUXUDBJ-AWEZNQCLSA-N -1 3 416.525 -0.306 20 0 HBADHM O=c1cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc(C2CC2)[n-]1 ZINC001192081357 1071663983 /nfs/dbraw/zinc/66/39/83/1071663983.db2.gz WXRYPEGDUXUDBJ-CQSZACIVSA-N -1 3 416.525 -0.306 20 0 HBADHM COCc1nc(C[N-]S(=O)(=O)c2cnn(C)c2I)n[nH]1 ZINC001192221396 1071665742 /nfs/dbraw/zinc/66/57/42/1071665742.db2.gz NPYCVDSVCFOTBA-UHFFFAOYSA-N -1 3 412.213 -0.232 20 0 HBADHM Cn1ncc(S(=O)(=O)[N-]C2(C(N)=O)CCOCC2)c1I ZINC001192254523 1071665804 /nfs/dbraw/zinc/66/58/04/1071665804.db2.gz HTVBYYXQUUGHCL-UHFFFAOYSA-N -1 3 414.225 -0.663 20 0 HBADHM 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O=C(OCc1ccccc1)N1CC(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC001193658830 1071689569 /nfs/dbraw/zinc/68/95/69/1071689569.db2.gz DKFIAPGWVVKDHY-ZIAGYGMSSA-N -1 3 404.466 -0.915 20 0 HBADHM O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC001193660050 1071690050 /nfs/dbraw/zinc/69/00/50/1071690050.db2.gz LZVAXFBXEZZYDS-CHWSQXEVSA-N -1 3 408.885 -0.758 20 0 HBADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)CN2CCOCC2)c(Cl)s1 ZINC001193730814 1071691170 /nfs/dbraw/zinc/69/11/70/1071691170.db2.gz VVLGGGFSGHXFDN-SECBINFHSA-N -1 3 418.946 -0.224 20 0 HBADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H](CO)CN2CCOCC2)c(Cl)s1 ZINC001193730816 1071691229 /nfs/dbraw/zinc/69/12/29/1071691229.db2.gz VVLGGGFSGHXFDN-VIFPVBQESA-N -1 3 418.946 -0.224 20 0 HBADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@]23COCCN2C(=O)COC3)c1 ZINC001193760110 1071692002 /nfs/dbraw/zinc/69/20/02/1071692002.db2.gz HNICRYVSPHPXEN-KRWDZBQOSA-N -1 3 416.427 -0.092 20 0 HBADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@]23COCCN2C(=O)COC3)c1 ZINC001193760111 1071691922 /nfs/dbraw/zinc/69/19/22/1071691922.db2.gz HNICRYVSPHPXEN-QGZVFWFLSA-N -1 3 416.427 -0.092 20 0 HBADHM O=C1COC[C@]2(C[N-]S(=O)(=O)c3ccc(Cl)c4nonc43)COCCN12 ZINC001193761049 1071692449 /nfs/dbraw/zinc/69/24/49/1071692449.db2.gz MJZSZWYEPVYEKA-AWEZNQCLSA-N -1 3 402.816 -0.218 20 0 HBADHM O=C1COC[C@@]2(C[N-]S(=O)(=O)c3ccc(Cl)c4nonc43)COCCN12 ZINC001193761050 1071692445 /nfs/dbraw/zinc/69/24/45/1071692445.db2.gz MJZSZWYEPVYEKA-CQSZACIVSA-N -1 3 402.816 -0.218 20 0 HBADHM O=c1[n-]c(CNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)nc2c1COCC2 ZINC001193969201 1071694727 /nfs/dbraw/zinc/69/47/27/1071694727.db2.gz PJRPSMTVOAZHLI-UHFFFAOYSA-N -1 3 419.403 -0.001 20 0 HBADHM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)cnc21 ZINC001194066635 1071696233 /nfs/dbraw/zinc/69/62/33/1071696233.db2.gz MWQUMLXLBCRYSW-SSDOTTSWSA-N -1 3 418.300 -0.129 20 0 HBADHM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F)cnc21 ZINC001194066661 1071696421 /nfs/dbraw/zinc/69/64/21/1071696421.db2.gz MWQUMLXLBCRYSW-ZETCQYMHSA-N -1 3 418.300 -0.129 20 0 HBADHM CN(C)S(=O)(=O)CCS(=O)(=O)[N-]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001194187325 1071699480 /nfs/dbraw/zinc/69/94/80/1071699480.db2.gz TYEXCXAFBYVKOR-UHFFFAOYSA-N -1 3 405.564 -0.952 20 0 HBADHM CN1C(=O)N=NC1C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC001194283002 1071701031 /nfs/dbraw/zinc/70/10/31/1071701031.db2.gz MTNBNGGUYTXJLZ-UHFFFAOYSA-N -1 3 408.209 0.000 20 0 HBADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCN(C)CCS(C)(=O)=O ZINC001194291658 1071701425 /nfs/dbraw/zinc/70/14/25/1071701425.db2.gz DBNFLKIZYJZJEX-UHFFFAOYSA-N -1 3 413.905 -0.224 20 0 HBADHM CN(CC[N-]S(=O)(=O)c1cn(C)nc1Br)CCS(C)(=O)=O ZINC001194291842 1071701517 /nfs/dbraw/zinc/70/15/17/1071701517.db2.gz FCOJJZCXPIBGPX-UHFFFAOYSA-N -1 3 403.324 -0.563 20 0 HBADHM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@H](Cc2cncs2)C(=O)OC)CC1 ZINC001194401639 1071701973 /nfs/dbraw/zinc/70/19/73/1071701973.db2.gz VYUGRQTVHAOSHR-GFCCVEGCSA-N -1 3 406.486 -0.164 20 0 HBADHM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@@H](Cc2cncs2)C(=O)OC)CC1 ZINC001194401641 1071701889 /nfs/dbraw/zinc/70/18/89/1071701889.db2.gz VYUGRQTVHAOSHR-LBPRGKRZSA-N -1 3 406.486 -0.164 20 0 HBADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[C@@H](C)O ZINC001194690518 1071707770 /nfs/dbraw/zinc/70/77/70/1071707770.db2.gz JBUXUFHRGVDRCU-FWOIEVBISA-N -1 3 413.221 -0.112 20 0 HBADHM CN(C)S(=O)(=O)CCS(=O)(=O)[N-]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001194699785 1071706631 /nfs/dbraw/zinc/70/66/31/1071706631.db2.gz QDHCRVXXLOKNMU-UHFFFAOYSA-N -1 3 419.591 -0.562 20 0 HBADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NS(=O)(=O)CC3CN(S(C)(=O)=O)C3)C2)n1 ZINC001194788779 1071708923 /nfs/dbraw/zinc/70/89/23/1071708923.db2.gz GUDORVAVQPWTFB-CYBMUJFWSA-N -1 3 419.529 -0.730 20 0 HBADHM Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)CC3CN(S(C)(=O)=O)C3)C2)n1 ZINC001194788780 1071708837 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409.237 -0.009 20 0 HBADHM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C2 ZINC001194967735 1071712385 /nfs/dbraw/zinc/71/23/85/1071712385.db2.gz BVKCUJBWRDQOBO-KRWDZBQOSA-N -1 3 412.443 -0.240 20 0 HBADHM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C2 ZINC001194967736 1071712356 /nfs/dbraw/zinc/71/23/56/1071712356.db2.gz BVKCUJBWRDQOBO-QGZVFWFLSA-N -1 3 412.443 -0.240 20 0 HBADHM C[Si](C)(C)CCS(=O)(=O)[N-][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001195108385 1071714239 /nfs/dbraw/zinc/71/42/39/1071714239.db2.gz NLYPFCWYVNTQLQ-GJZGRUSLSA-N -1 3 415.588 -0.182 20 0 HBADHM CNC(=O)CN1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC001195115897 1071714315 /nfs/dbraw/zinc/71/43/15/1071714315.db2.gz HTUYQLLCSRWYFG-UHFFFAOYSA-N -1 3 422.504 -0.360 20 0 HBADHM NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc([O-])cnc1Cl ZINC001195316083 1071716998 /nfs/dbraw/zinc/71/69/98/1071716998.db2.gz YTGLFKCWQXCFJR-STQMWFEESA-N -1 3 406.830 -0.019 20 0 HBADHM NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc([O-])cnc1Cl ZINC001195316083 1071716994 /nfs/dbraw/zinc/71/69/94/1071716994.db2.gz YTGLFKCWQXCFJR-STQMWFEESA-N -1 3 406.830 -0.019 20 0 HBADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001195455754 1071718927 /nfs/dbraw/zinc/71/89/27/1071718927.db2.gz UNOMJBLFJBDMOM-HNNXBMFYSA-N -1 3 414.875 -0.412 20 0 HBADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001195455754 1071718924 /nfs/dbraw/zinc/71/89/24/1071718924.db2.gz UNOMJBLFJBDMOM-HNNXBMFYSA-N -1 3 414.875 -0.412 20 0 HBADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001195455756 1071718757 /nfs/dbraw/zinc/71/87/57/1071718757.db2.gz UNOMJBLFJBDMOM-OAHLLOKOSA-N -1 3 414.875 -0.412 20 0 HBADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001195455756 1071718752 /nfs/dbraw/zinc/71/87/52/1071718752.db2.gz UNOMJBLFJBDMOM-OAHLLOKOSA-N -1 3 414.875 -0.412 20 0 HBADHM 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CCOC([O-])=NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OC ZINC001195458532 1071718915 /nfs/dbraw/zinc/71/89/15/1071718915.db2.gz PNLPQTLWLOAJCU-QYVSTXNMSA-N -1 3 412.428 -0.465 20 0 HBADHM CCOC(=O)[N-]C(=S)Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001195460582 1071718798 /nfs/dbraw/zinc/71/87/98/1071718798.db2.gz AVHIZETYIPMYFA-QYVSTXNMSA-N -1 3 415.403 -0.375 20 0 HBADHM CCOC([O-])=NC(=S)Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001195460582 1071718794 /nfs/dbraw/zinc/71/87/94/1071718794.db2.gz AVHIZETYIPMYFA-QYVSTXNMSA-N -1 3 415.403 -0.375 20 0 HBADHM CCOC([O-])=NC(=S)N=c1nc[nH]c2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001195460582 1071718785 /nfs/dbraw/zinc/71/87/85/1071718785.db2.gz AVHIZETYIPMYFA-QYVSTXNMSA-N -1 3 415.403 -0.375 20 0 HBADHM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001195687507 1071724682 /nfs/dbraw/zinc/72/46/82/1071724682.db2.gz CSOQMDJFFHMYEZ-GFCCVEGCSA-N -1 3 423.444 -0.799 20 0 HBADHM 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