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0.819 20 0 JCADRM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cccc(-c3nnnn3C)c1)C2=O ZINC000917439543 1068263823 /nfs/dbraw/zinc/26/38/23/1068263823.db2.gz BZGISUKGSNHABH-ZSEKCTLFSA-N -1 0 489.558 0.819 20 0 JCADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc(Cl)c1OCC(N)=O ZINC000917439544 1068263682 /nfs/dbraw/zinc/26/36/82/1068263682.db2.gz CCAOKTNOAWGQRM-UHFFFAOYSA-N -1 0 480.890 0.522 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000917439568 1068263712 /nfs/dbraw/zinc/26/37/12/1068263712.db2.gz CUBZFSZKGVXWGT-UHFFFAOYSA-N -1 0 496.596 0.771 20 0 JCADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000917439615 1068264426 /nfs/dbraw/zinc/26/44/26/1068264426.db2.gz RCWVNOKBBMMKAB-CYBMUJFWSA-N -1 0 480.520 0.719 20 0 JCADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000917439616 1068264277 /nfs/dbraw/zinc/26/42/77/1068264277.db2.gz RCWVNOKBBMMKAB-ZDUSSCGKSA-N -1 0 480.520 0.719 20 0 JCADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000917439656 1068264197 /nfs/dbraw/zinc/26/41/97/1068264197.db2.gz BAYLBWMXZJAPSU-UHFFFAOYSA-N -1 0 458.539 0.531 20 0 JCADRM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1OCC(N)=O ZINC000917439675 1068264209 /nfs/dbraw/zinc/26/42/09/1068264209.db2.gz COUPIOFHZMUSTF-UHFFFAOYSA-N -1 0 472.497 0.090 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 ZINC000917439699 1068264235 /nfs/dbraw/zinc/26/42/35/1068264235.db2.gz FMPNSIUQEWSJQH-FQEVSTJZSA-N -1 0 487.473 0.288 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 ZINC000917439700 1068264224 /nfs/dbraw/zinc/26/42/24/1068264224.db2.gz FMPNSIUQEWSJQH-HXUWFJFHSA-N -1 0 487.473 0.288 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000917439718 1068264456 /nfs/dbraw/zinc/26/44/56/1068264456.db2.gz FUQLQBJOGDEXCD-UHFFFAOYSA-N -1 0 462.513 0.536 20 0 JCADRM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000917439723 1068264247 /nfs/dbraw/zinc/26/42/47/1068264247.db2.gz DPKAAOIHJXPUGN-UHFFFAOYSA-N -1 0 456.498 0.763 20 0 JCADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)[N-]S(=O)(=O)c1cccc(-c3nnnn3C)c1)C2=O ZINC000917439724 1068264393 /nfs/dbraw/zinc/26/43/93/1068264393.db2.gz GCVUIKIHELDSAS-UHFFFAOYSA-N -1 0 475.531 0.573 20 0 JCADRM Cc1cc(NC(=O)[C@@H](C)SCC(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)no1 ZINC000917439731 1068264472 /nfs/dbraw/zinc/26/44/72/1068264472.db2.gz DSZHZFSBSPGIJS-LLVKDONJSA-N -1 0 461.543 0.952 20 0 JCADRM Cc1cc(NC(=O)[C@H](C)SCC(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)no1 ZINC000917439734 1068264378 /nfs/dbraw/zinc/26/43/78/1068264378.db2.gz DSZHZFSBSPGIJS-NSHDSACASA-N -1 0 461.543 0.952 20 0 JCADRM Cc1sc2ncn(CC(=O)[N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)c(=O)c2c1C ZINC000917439748 1068264345 /nfs/dbraw/zinc/26/43/45/1068264345.db2.gz DYXMGKXXLKIFDU-UHFFFAOYSA-N -1 0 455.539 0.983 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000917439758 1068264176 /nfs/dbraw/zinc/26/41/76/1068264176.db2.gz HBVDWYYOGSBJOS-UHFFFAOYSA-N -1 0 455.500 0.629 20 0 JCADRM CSC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000917439776 1068264406 /nfs/dbraw/zinc/26/44/06/1068264406.db2.gz HTQSRDVUFRBSQN-BZUAXINKSA-N -1 0 492.583 0.589 20 0 JCADRM CSC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000917439777 1068264311 /nfs/dbraw/zinc/26/43/11/1068264311.db2.gz HTQSRDVUFRBSQN-HRCADAONSA-N -1 0 492.583 0.589 20 0 JCADRM CSC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000917439778 1068264441 /nfs/dbraw/zinc/26/44/41/1068264441.db2.gz HTQSRDVUFRBSQN-OWCLPIDISA-N -1 0 492.583 0.589 20 0 JCADRM CSC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000917439779 1068264263 /nfs/dbraw/zinc/26/42/63/1068264263.db2.gz HTQSRDVUFRBSQN-XHSDSOJGSA-N -1 0 492.583 0.589 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC000917439784 1068264327 /nfs/dbraw/zinc/26/43/27/1068264327.db2.gz HWSHEWFJQVZJSD-HNNXBMFYSA-N -1 0 496.505 0.771 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000917439786 1068265072 /nfs/dbraw/zinc/26/50/72/1068265072.db2.gz HWSHEWFJQVZJSD-OAHLLOKOSA-N -1 0 496.505 0.771 20 0 JCADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000917439787 1068264295 /nfs/dbraw/zinc/26/42/95/1068264295.db2.gz GCTQROFVMMXYEL-INIZCTEOSA-N -1 0 450.498 0.015 20 0 JCADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 ZINC000917439792 1068264362 /nfs/dbraw/zinc/26/43/62/1068264362.db2.gz GCTQROFVMMXYEL-MRXNPFEDSA-N -1 0 450.498 0.015 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)c1 ZINC000917439821 1068265043 /nfs/dbraw/zinc/26/50/43/1068265043.db2.gz IWNGHCVDOUAFGH-UHFFFAOYSA-N -1 0 455.456 0.188 20 0 JCADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000917439837 1068264993 /nfs/dbraw/zinc/26/49/93/1068264993.db2.gz UFXCQHSAMGNGLB-UHFFFAOYSA-N -1 0 480.973 0.869 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000917439859 1068264954 /nfs/dbraw/zinc/26/49/54/1068264954.db2.gz JLHWNBFLKFCMGB-UHFFFAOYSA-N -1 0 491.555 0.178 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 ZINC000917439875 1068265005 /nfs/dbraw/zinc/26/50/05/1068265005.db2.gz VUBJZJDNZPBKGO-UHFFFAOYSA-N -1 0 451.468 0.606 20 0 JCADRM CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)c1ccc(Br)o1 ZINC000917439903 1068264937 /nfs/dbraw/zinc/26/49/37/1068264937.db2.gz XMKMVVFTGPSAQJ-UHFFFAOYSA-N -1 0 483.304 0.810 20 0 JCADRM COc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2=O)c(OC)c1 ZINC000917439999 1068264888 /nfs/dbraw/zinc/26/48/88/1068264888.db2.gz KJCHTLOXLJVLDK-CYBMUJFWSA-N -1 0 482.536 0.965 20 0 JCADRM COc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2=O)c(OC)c1 ZINC000917440000 1068264980 /nfs/dbraw/zinc/26/49/80/1068264980.db2.gz KJCHTLOXLJVLDK-ZDUSSCGKSA-N -1 0 482.536 0.965 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1 ZINC000917440045 1068265092 /nfs/dbraw/zinc/26/50/92/1068265092.db2.gz KJYAVIWDYCLKND-DZKIICNBSA-N -1 0 465.561 0.408 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)c1 ZINC000917440046 1068265029 /nfs/dbraw/zinc/26/50/29/1068265029.db2.gz KJYAVIWDYCLKND-IJEWVQPXSA-N -1 0 465.561 0.408 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)c1 ZINC000917440047 1068264967 /nfs/dbraw/zinc/26/49/67/1068264967.db2.gz KJYAVIWDYCLKND-OFQRWUPVSA-N -1 0 465.561 0.408 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)c1 ZINC000917440048 1068265086 /nfs/dbraw/zinc/26/50/86/1068265086.db2.gz KJYAVIWDYCLKND-YCPHGPKFSA-N -1 0 465.561 0.408 20 0 JCADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)C2=O)cc1 ZINC000917440053 1068264896 /nfs/dbraw/zinc/26/48/96/1068264896.db2.gz KQWKADCBHPRCKP-NRFANRHFSA-N -1 0 483.510 0.458 20 0 JCADRM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)C2=O)cc1 ZINC000917440054 1068265015 /nfs/dbraw/zinc/26/50/15/1068265015.db2.gz KQWKADCBHPRCKP-OAQYLSRUSA-N -1 0 483.510 0.458 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 ZINC000917440093 1068265709 /nfs/dbraw/zinc/26/57/09/1068265709.db2.gz ACSUAYFKZLVRJI-UHFFFAOYSA-N -1 0 462.875 0.761 20 0 JCADRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917440103 1068265461 /nfs/dbraw/zinc/26/54/61/1068265461.db2.gz MSTGFNNAOIANJT-IBGZPJMESA-N -1 0 467.511 0.911 20 0 JCADRM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000917440105 1068265545 /nfs/dbraw/zinc/26/55/45/1068265545.db2.gz MSTGFNNAOIANJT-LJQANCHMSA-N -1 0 467.511 0.911 20 0 JCADRM CCCCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000917440122 1068265484 /nfs/dbraw/zinc/26/54/84/1068265484.db2.gz ATIQKSNFSXJDDF-UHFFFAOYSA-N -1 0 470.577 0.524 20 0 JCADRM CON(C)S(=O)(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000917440131 1068265595 /nfs/dbraw/zinc/26/55/95/1068265595.db2.gz AYMOAZIIVCPBQE-UHFFFAOYSA-N -1 0 466.501 0.178 20 0 JCADRM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000917440137 1068265636 /nfs/dbraw/zinc/26/56/36/1068265636.db2.gz NPSQYQUMJJRAJB-UHFFFAOYSA-N -1 0 484.947 0.900 20 0 JCADRM C[C@H]1Oc2ccccc2N(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1=O ZINC000917440151 1068265500 /nfs/dbraw/zinc/26/55/00/1068265500.db2.gz BLYUOGWIMDPBGH-CYBMUJFWSA-N -1 0 456.484 0.886 20 0 JCADRM C[C@@H]1Oc2ccccc2N(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)C1=O ZINC000917440152 1068265562 /nfs/dbraw/zinc/26/55/62/1068265562.db2.gz BLYUOGWIMDPBGH-ZDUSSCGKSA-N -1 0 456.484 0.886 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)COc2cccc(N3CCCC3=O)c2)c1 ZINC000917440170 1068265528 /nfs/dbraw/zinc/26/55/28/1068265528.db2.gz OCQJTSPIQUARGR-UHFFFAOYSA-N -1 0 456.484 0.888 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 ZINC000917440171 1068265610 /nfs/dbraw/zinc/26/56/10/1068265610.db2.gz CQGCHEZYAJPUND-UHFFFAOYSA-N -1 0 461.504 0.279 20 0 JCADRM Cc1cccc2c(=O)n(CCC(=O)[N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)cnc12 ZINC000917440202 1068265677 /nfs/dbraw/zinc/26/56/77/1068265677.db2.gz DWZMPIHAJREVKX-UHFFFAOYSA-N -1 0 453.484 0.791 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000917440212 1068265447 /nfs/dbraw/zinc/26/54/47/1068265447.db2.gz FHJSQTCCUFSWFN-UHFFFAOYSA-N -1 0 482.569 0.842 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000917440217 1068265652 /nfs/dbraw/zinc/26/56/52/1068265652.db2.gz FQZCWMMGYZCWRI-UHFFFAOYSA-N -1 0 462.513 0.536 20 0 JCADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CSCc2cc(=O)n3ccsc3n2)c1 ZINC000917440224 1068265696 /nfs/dbraw/zinc/26/56/96/1068265696.db2.gz GGFSFBVLSWGTJF-UHFFFAOYSA-N -1 0 477.553 0.685 20 0 JCADRM COc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)CC2=O)cc1 ZINC000917440229 1068265623 /nfs/dbraw/zinc/26/56/23/1068265623.db2.gz GKAMOFLMQSUNSD-AWEZNQCLSA-N -1 0 456.484 0.744 20 0 JCADRM COc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)c3cccc(-c4nnnn4C)c3)CC2=O)cc1 ZINC000917440230 1068265472 /nfs/dbraw/zinc/26/54/72/1068265472.db2.gz GKAMOFLMQSUNSD-CQSZACIVSA-N -1 0 456.484 0.744 20 0 JCADRM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 ZINC000917440235 1068265105 /nfs/dbraw/zinc/26/51/05/1068265105.db2.gz MEHLPSBPJLRGKO-UHFFFAOYSA-N -1 0 472.566 0.921 20 0 JCADRM C[C@@H]1Cc2cc(C(=O)[N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc2N1S(C)(=O)=O ZINC000917440254 1068265434 /nfs/dbraw/zinc/26/54/34/1068265434.db2.gz NBULDZRVXNCBCO-GFCCVEGCSA-N -1 0 472.566 0.919 20 0 JCADRM 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/nfs/dbraw/zinc/55/21/95/1068552195.db2.gz SCCHZKXRAUJIGS-CABCVRRESA-N -1 0 481.575 0.771 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)SCC[C@H]2C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001179189993 1068551990 /nfs/dbraw/zinc/55/19/90/1068551990.db2.gz SCCHZKXRAUJIGS-GJZGRUSLSA-N -1 0 481.575 0.771 20 0 JCADRM CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])C2)CC1 ZINC001179198199 1068541017 /nfs/dbraw/zinc/54/10/17/1068541017.db2.gz QRRKGYMJJNKQNN-DLBZAZTESA-N -1 0 493.561 0.834 20 0 JCADRM CC(C)(C)OC(=O)N1CCC2(CO[C@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])C2)CC1 ZINC001179198200 1068540777 /nfs/dbraw/zinc/54/07/77/1068540777.db2.gz QRRKGYMJJNKQNN-IRXDYDNUSA-N -1 0 493.561 0.834 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])=NO2)C1 ZINC001179211541 1068542547 /nfs/dbraw/zinc/54/25/47/1068542547.db2.gz SIKLYPCLLZAGAH-LHSJRXKWSA-N -1 0 478.506 0.184 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])=NO2)C1 ZINC001179211542 1068542632 /nfs/dbraw/zinc/54/26/32/1068542632.db2.gz SIKLYPCLLZAGAH-QKKBWIMNSA-N -1 0 478.506 0.184 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@H]2C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001179217949 1068548139 /nfs/dbraw/zinc/54/81/39/1068548139.db2.gz AXFFKVBSACLXMV-KRWDZBQOSA-N -1 0 480.543 0.369 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@@H]2C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001179217950 1068548208 /nfs/dbraw/zinc/54/82/08/1068548208.db2.gz AXFFKVBSACLXMV-QGZVFWFLSA-N -1 0 480.543 0.369 20 0 JCADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001179218075 1068548057 /nfs/dbraw/zinc/54/80/57/1068548057.db2.gz FEFIKLKQVXNOBB-HNNXBMFYSA-N -1 0 482.515 0.795 20 0 JCADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001179218076 1068548267 /nfs/dbraw/zinc/54/82/67/1068548267.db2.gz FEFIKLKQVXNOBB-OAHLLOKOSA-N -1 0 482.515 0.795 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@H]2C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001179218463 1068548308 /nfs/dbraw/zinc/54/83/08/1068548308.db2.gz OHGKZSDNCWCLBL-AWEZNQCLSA-N -1 0 450.473 0.183 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@@H]2C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001179218464 1068548126 /nfs/dbraw/zinc/54/81/26/1068548126.db2.gz OHGKZSDNCWCLBL-CQSZACIVSA-N -1 0 450.473 0.183 20 0 JCADRM CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3ccc(CC(=O)[N-]S(C)(=O)=O)cc3)=NO[C@@H]2C1 ZINC001179231926 1068552632 /nfs/dbraw/zinc/55/26/32/1068552632.db2.gz QUZRXKZKBSRKQE-LSDHHAIUSA-N -1 0 466.516 0.865 20 0 JCADRM C[C@H]1[C@H](NC(=O)C[C@@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001179262504 1068553663 /nfs/dbraw/zinc/55/36/63/1068553663.db2.gz PHQNVMZJXIJOAV-NGOJXBLDSA-N -1 0 461.537 0.701 20 0 JCADRM C[C@H]1[C@H](NC(=O)C[C@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001179262505 1068553716 /nfs/dbraw/zinc/55/37/16/1068553716.db2.gz PHQNVMZJXIJOAV-QPWUGHHJSA-N -1 0 461.537 0.701 20 0 JCADRM C[C@H]1[C@H](NC(=O)C[C@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001179262506 1068553803 /nfs/dbraw/zinc/55/38/03/1068553803.db2.gz PHQNVMZJXIJOAV-QRDCCXFBSA-N -1 0 461.537 0.701 20 0 JCADRM C[C@H]1[C@H](NC(=O)C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C(=O)N1S(=O)(=O)[O-] ZINC001179262507 1068553762 /nfs/dbraw/zinc/55/37/62/1068553762.db2.gz PHQNVMZJXIJOAV-VODUFIJXSA-N -1 0 461.537 0.701 20 0 JCADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)[C@@H]1CC12CCOCC2 ZINC001179310281 1068555026 /nfs/dbraw/zinc/55/50/26/1068555026.db2.gz UFYAXIRDKXRQQY-HFUUILQTSA-N -1 0 467.375 0.356 20 0 JCADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)[C@H]1CC12CCOCC2 ZINC001179310282 1068554905 /nfs/dbraw/zinc/55/49/05/1068554905.db2.gz UFYAXIRDKXRQQY-HFXCLENSSA-N -1 0 467.375 0.356 20 0 JCADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)[C@H]1CC12CCOCC2 ZINC001179310283 1068555094 /nfs/dbraw/zinc/55/50/94/1068555094.db2.gz UFYAXIRDKXRQQY-IQIWJMHQSA-N -1 0 467.375 0.356 20 0 JCADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)[C@@H]1CC12CCOCC2 ZINC001179310284 1068554893 /nfs/dbraw/zinc/55/48/93/1068554893.db2.gz UFYAXIRDKXRQQY-PQNDQDNYSA-N -1 0 467.375 0.356 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])CC[C@H]21 ZINC001179326749 1068559276 /nfs/dbraw/zinc/55/92/76/1068559276.db2.gz AJRSTQOJLYNNIZ-YLFCFFPRSA-N -1 0 479.534 0.585 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@H]2OCCC[C@@]2(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)C1 ZINC001179338952 1068559703 /nfs/dbraw/zinc/55/97/03/1068559703.db2.gz ZORSOZXXTLWZNU-MLCYQJTMSA-N -1 0 488.523 0.155 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@H]2OCCC[C@@]2(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001179342821 1068560415 /nfs/dbraw/zinc/56/04/15/1068560415.db2.gz AQMUYSPRFNYUQB-YGKZAACZSA-N -1 0 493.561 0.834 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)Nc1ccc3c(c1)S(=O)(=O)[N-]C3=O)CCS2(=O)=O ZINC001179362535 1068562875 /nfs/dbraw/zinc/56/28/75/1068562875.db2.gz INLSAONMCQIVSE-CYBMUJFWSA-N -1 0 485.540 0.481 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)Nc1ccc3c(c1)S(=O)(=O)[N-]C3=O)CCS2(=O)=O ZINC001179362536 1068562988 /nfs/dbraw/zinc/56/29/88/1068562988.db2.gz INLSAONMCQIVSE-ZDUSSCGKSA-N -1 0 485.540 0.481 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CCS2(=O)=O ZINC001179363061 1068563885 /nfs/dbraw/zinc/56/38/85/1068563885.db2.gz UMGDHLULTXBAGD-JTQLQIEISA-N -1 0 471.579 0.083 20 0 JCADRM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])CCS2(=O)=O ZINC001179363062 1068563820 /nfs/dbraw/zinc/56/38/20/1068563820.db2.gz UMGDHLULTXBAGD-SNVBAGLBSA-N -1 0 471.579 0.083 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1 ZINC001179390856 1068567685 /nfs/dbraw/zinc/56/76/85/1068567685.db2.gz OZRZOECFSCBJLD-MXWKQRLJSA-N -1 0 488.523 0.011 20 0 JCADRM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001179395708 1068560298 /nfs/dbraw/zinc/56/02/98/1068560298.db2.gz MNEKEFGKDFCLFI-BGTYHANMSA-N -1 0 493.561 0.690 20 0 JCADRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2CC(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001179397846 1068560387 /nfs/dbraw/zinc/56/03/87/1068560387.db2.gz VZILLMDTMFUQPE-ZACCUICWSA-N -1 0 472.524 0.632 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@@H](C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)C2)C1 ZINC001179408700 1068570456 /nfs/dbraw/zinc/57/04/56/1068570456.db2.gz PZLGKVBLXLEJOC-MGNBDDOMSA-N -1 0 488.523 0.155 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@@H](C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)C2)C1 ZINC001179408701 1068570445 /nfs/dbraw/zinc/57/04/45/1068570445.db2.gz PZLGKVBLXLEJOC-MLCYQJTMSA-N -1 0 488.523 0.155 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@H](C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)C2)C1 ZINC001179408702 1068570429 /nfs/dbraw/zinc/57/04/29/1068570429.db2.gz PZLGKVBLXLEJOC-XTZNXHDOSA-N -1 0 488.523 0.155 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@H](C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)C2)C1 ZINC001179408703 1068570474 /nfs/dbraw/zinc/57/04/74/1068570474.db2.gz PZLGKVBLXLEJOC-YPMLDQLKSA-N -1 0 488.523 0.155 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])C2)C1 ZINC001179424119 1068571155 /nfs/dbraw/zinc/57/11/55/1068571155.db2.gz RUPGSJCYMDXGCR-DLYSWHJUSA-N -1 0 493.561 0.834 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])C2)C1 ZINC001179424120 1068571302 /nfs/dbraw/zinc/57/13/02/1068571302.db2.gz RUPGSJCYMDXGCR-LPXYKDPNSA-N -1 0 493.561 0.834 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])C2)C1 ZINC001179424121 1068571105 /nfs/dbraw/zinc/57/11/05/1068571105.db2.gz RUPGSJCYMDXGCR-WSZRMNBISA-N -1 0 493.561 0.834 20 0 JCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])C2)C1 ZINC001179424122 1068571212 /nfs/dbraw/zinc/57/12/12/1068571212.db2.gz RUPGSJCYMDXGCR-YGJVYZRNSA-N -1 0 493.561 0.834 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]23C(=O)Nc2ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001179441884 1068569169 /nfs/dbraw/zinc/56/91/69/1068569169.db2.gz HMNGLLSROJGAGI-OJCRIDAYSA-N -1 0 494.526 0.262 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]23C(=O)Nc2ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001179441885 1068569078 /nfs/dbraw/zinc/56/90/78/1068569078.db2.gz HMNGLLSROJGAGI-OORNIURLSA-N -1 0 494.526 0.262 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@]23C(=O)Nc2ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001179441886 1068569099 /nfs/dbraw/zinc/56/90/99/1068569099.db2.gz HMNGLLSROJGAGI-PPCJFCATSA-N -1 0 494.526 0.262 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]23C(=O)Nc2ccccc23)C(=O)N1S(=O)(=O)[O-] ZINC001179441887 1068569453 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0.701 20 0 JCADRM CCn1nnc2c1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@H]2COCc1ccccc1 ZINC001185655253 1069019745 /nfs/dbraw/zinc/01/97/45/1069019745.db2.gz VPBVGVOWSDZQQC-INIZCTEOSA-N -1 0 465.451 0.489 20 0 JCADRM CCn1nnc2c1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])[C@@H]2COCc1ccccc1 ZINC001185655256 1069019729 /nfs/dbraw/zinc/01/97/29/1069019729.db2.gz VPBVGVOWSDZQQC-MRXNPFEDSA-N -1 0 465.451 0.489 20 0 JCADRM CN(CC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655269 1069019563 /nfs/dbraw/zinc/01/95/63/1069019563.db2.gz VSUVVZMHWXIPHK-UHFFFAOYSA-N -1 0 480.487 0.549 20 0 JCADRM CN(CC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655279 1069019620 /nfs/dbraw/zinc/01/96/20/1069019620.db2.gz VZOUUVSTHPGWGY-UHFFFAOYSA-N -1 0 464.467 0.584 20 0 JCADRM CN(CC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655287 1069019645 /nfs/dbraw/zinc/01/96/45/1069019645.db2.gz WFOQZRXKMNGJLG-GOSISDBHSA-N -1 0 486.853 0.965 20 0 JCADRM CN(CC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655288 1069019633 /nfs/dbraw/zinc/01/96/33/1069019633.db2.gz WFOQZRXKMNGJLG-SFHVURJKSA-N -1 0 486.853 0.965 20 0 JCADRM CN(CC(=O)N1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)[C@H](CF)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655337 1069019482 /nfs/dbraw/zinc/01/94/82/1069019482.db2.gz XZFXXFLSDQALJZ-NEPJUHHUSA-N -1 0 451.436 0.637 20 0 JCADRM CN(CC(=O)N1C[C@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655340 1069019763 /nfs/dbraw/zinc/01/97/63/1069019763.db2.gz XZFXXFLSDQALJZ-NWDGAFQWSA-N -1 0 451.436 0.637 20 0 JCADRM CN(CC(=O)N1C[C@H](CF)[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655342 1069020097 /nfs/dbraw/zinc/02/00/97/1069020097.db2.gz XZFXXFLSDQALJZ-RYUDHWBXSA-N -1 0 451.436 0.637 20 0 JCADRM CN(CC(=O)N1C[C@@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655344 1069020082 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1069020023 /nfs/dbraw/zinc/02/00/23/1069020023.db2.gz CYTXCDDNTMXKSK-INIZCTEOSA-N -1 0 464.385 0.834 20 0 JCADRM CN(CC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656207 1069020434 /nfs/dbraw/zinc/02/04/34/1069020434.db2.gz CYTXCDDNTMXKSK-MRXNPFEDSA-N -1 0 464.385 0.834 20 0 JCADRM Cc1nc(CN2CCO[C@@H]3CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@@H]3C2)cs1 ZINC001185656464 1069020270 /nfs/dbraw/zinc/02/02/70/1069020270.db2.gz FLYRBABTQZTTNT-UKRRQHHQSA-N -1 0 460.497 0.050 20 0 JCADRM Cc1nc(CO[C@@H]2COC3(C2)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC3)cs1 ZINC001185656880 1069020154 /nfs/dbraw/zinc/02/01/54/1069020154.db2.gz JKGKZHXKYDNHOB-AWEZNQCLSA-N -1 0 461.481 0.667 20 0 JCADRM Cc1nc(CO[C@H]2COC3(C2)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC3)cs1 ZINC001185656881 1069020417 /nfs/dbraw/zinc/02/04/17/1069020417.db2.gz JKGKZHXKYDNHOB-CQSZACIVSA-N -1 0 461.481 0.667 20 0 JCADRM CCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185656891 1069019930 /nfs/dbraw/zinc/01/99/30/1069019930.db2.gz JQHDJYYQUVODIB-INIZCTEOSA-N -1 0 451.464 0.932 20 0 JCADRM CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185656892 1069020005 /nfs/dbraw/zinc/02/00/05/1069020005.db2.gz JQHDJYYQUVODIB-MRXNPFEDSA-N -1 0 451.464 0.932 20 0 JCADRM CN(CC(=O)N1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656905 1069020324 /nfs/dbraw/zinc/02/03/24/1069020324.db2.gz KGLRIRXGWSSMEO-UHFFFAOYSA-N -1 0 497.880 0.906 20 0 JCADRM C[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001185656914 1069020198 /nfs/dbraw/zinc/02/01/98/1069020198.db2.gz KKNRNETZMTXPBZ-ZBQZNYHESA-N -1 0 468.451 0.355 20 0 JCADRM C[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001185656915 1069020880 /nfs/dbraw/zinc/02/08/80/1069020880.db2.gz KKNRNETZMTXPBZ-ZUEVXXBESA-N -1 0 468.451 0.355 20 0 JCADRM CSc1nc(Cl)cc(N2CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2)n1 ZINC001185657151 1069020827 /nfs/dbraw/zinc/02/08/27/1069020827.db2.gz NGUOLKBSUUONOF-UHFFFAOYSA-N -1 0 451.877 0.439 20 0 JCADRM Cc1nc(Cn2c(=O)ccc3c2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC3)cs1 ZINC001185657215 1069020750 /nfs/dbraw/zinc/02/07/50/1069020750.db2.gz PYTBUVYHMYGFQJ-UHFFFAOYSA-N -1 0 468.476 0.138 20 0 JCADRM CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657310 1069020793 /nfs/dbraw/zinc/02/07/93/1069020793.db2.gz SRRHOPUSOPRIHS-APWZRJJASA-N -1 0 455.452 0.545 20 0 JCADRM CN(CC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657311 1069020758 /nfs/dbraw/zinc/02/07/58/1069020758.db2.gz SRRHOPUSOPRIHS-LPHOPBHVSA-N -1 0 455.452 0.545 20 0 JCADRM CN(CC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657312 1069020891 /nfs/dbraw/zinc/02/08/91/1069020891.db2.gz SRRHOPUSOPRIHS-QFBILLFUSA-N -1 0 455.452 0.545 20 0 JCADRM CN(CC(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657313 1069020818 /nfs/dbraw/zinc/02/08/18/1069020818.db2.gz SRRHOPUSOPRIHS-VQIMIIECSA-N -1 0 455.452 0.545 20 0 JCADRM CN(CC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657339 1069020868 /nfs/dbraw/zinc/02/08/68/1069020868.db2.gz UQXVVQLBEWDPBV-UHFFFAOYSA-N -1 0 484.475 0.007 20 0 JCADRM CN(CC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657347 1069020805 /nfs/dbraw/zinc/02/08/05/1069020805.db2.gz UXXGMSZZAWMQKO-HNNXBMFYSA-N -1 0 451.424 0.002 20 0 JCADRM CN(CC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657348 1069020729 /nfs/dbraw/zinc/02/07/29/1069020729.db2.gz UXXGMSZZAWMQKO-OAHLLOKOSA-N -1 0 451.424 0.002 20 0 JCADRM CN(CC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657398 1069020779 /nfs/dbraw/zinc/02/07/79/1069020779.db2.gz WHTNQKKLFWOVKN-UHFFFAOYSA-N -1 0 466.479 0.123 20 0 JCADRM Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)n1 ZINC001185657636 1069020854 /nfs/dbraw/zinc/02/08/54/1069020854.db2.gz ZJLGQYAMNGRLDC-FXAWDEMLSA-N -1 0 469.479 0.853 20 0 JCADRM Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)n1 ZINC001185657637 1069020740 /nfs/dbraw/zinc/02/07/40/1069020740.db2.gz ZJLGQYAMNGRLDC-PXNSSMCTSA-N -1 0 469.479 0.853 20 0 JCADRM Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)n1 ZINC001185657638 1069020929 /nfs/dbraw/zinc/02/09/29/1069020929.db2.gz ZJLGQYAMNGRLDC-XLIONFOSSA-N -1 0 469.479 0.853 20 0 JCADRM Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)n1 ZINC001185657639 1069020839 /nfs/dbraw/zinc/02/08/39/1069020839.db2.gz ZJLGQYAMNGRLDC-YLJYHZDGSA-N -1 0 469.479 0.853 20 0 JCADRM CCOC(=O)[C@@H]1c2ccc(Br)cc2CCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661020 1069023428 /nfs/dbraw/zinc/02/34/28/1069023428.db2.gz CCGWEVZPTUVTSG-AWEZNQCLSA-N -1 0 477.252 0.987 20 0 JCADRM CCOC(=O)[C@H]1c2ccc(Br)cc2CCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661021 1069023347 /nfs/dbraw/zinc/02/33/47/1069023347.db2.gz CCGWEVZPTUVTSG-CQSZACIVSA-N -1 0 477.252 0.987 20 0 JCADRM CN(CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661026 1069023385 /nfs/dbraw/zinc/02/33/85/1069023385.db2.gz CETCBONDPIIRIF-UHFFFAOYSA-N -1 0 475.446 0.531 20 0 JCADRM CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])c1 ZINC001185661064 1069023597 /nfs/dbraw/zinc/02/35/97/1069023597.db2.gz FFPALBKKQYZSSC-UHFFFAOYSA-N -1 0 451.442 0.213 20 0 JCADRM CN(CC(=O)N1CCN(c2ccc(C(=O)OC(C)(C)C)cc2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661316 1069023580 /nfs/dbraw/zinc/02/35/80/1069023580.db2.gz HZTQBJMWMDVCOG-UHFFFAOYSA-N -1 0 455.452 0.839 20 0 JCADRM CN(CC(=O)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1cncnc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661324 1069023458 /nfs/dbraw/zinc/02/34/58/1069023458.db2.gz IHRKAMFBKNRAPS-UHFFFAOYSA-N -1 0 489.429 0.690 20 0 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FEPIDQIUTWICQB-MSOLQXFVSA-N -1 0 453.561 0.565 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC001186680696 1069188422 /nfs/dbraw/zinc/18/84/22/1069188422.db2.gz FEPIDQIUTWICQB-ROUUACIJSA-N -1 0 453.561 0.565 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)N1CC(N2CCN(C)C(=O)C2)C1)C(=O)[O-] ZINC001186681123 1069188294 /nfs/dbraw/zinc/18/82/94/1069188294.db2.gz IAHGIAJQEJXZND-PMACEKPBSA-N -1 0 458.559 0.446 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)N1CC(N2CCN(C)C(=O)C2)C1)C(=O)[O-] ZINC001186681126 1069188240 /nfs/dbraw/zinc/18/82/40/1069188240.db2.gz IAHGIAJQEJXZND-UXHICEINSA-N -1 0 458.559 0.446 20 0 JCADRM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C2 ZINC001186681355 1069188363 /nfs/dbraw/zinc/18/83/63/1069188363.db2.gz IWGGGRRSRPZYEF-OHUGHZGNSA-N -1 0 486.569 0.410 20 0 JCADRM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C2 ZINC001186681357 1069188351 /nfs/dbraw/zinc/18/83/51/1069188351.db2.gz IWGGGRRSRPZYEF-RLSLOFABSA-N -1 0 486.569 0.410 20 0 JCADRM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C2 ZINC001186681359 1069188418 /nfs/dbraw/zinc/18/84/18/1069188418.db2.gz IWGGGRRSRPZYEF-RNHFSVANSA-N -1 0 486.569 0.410 20 0 JCADRM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C2 ZINC001186681361 1069188430 /nfs/dbraw/zinc/18/84/30/1069188430.db2.gz IWGGGRRSRPZYEF-ZYLNGJIFSA-N -1 0 486.569 0.410 20 0 JCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])CCN1C(C)=O ZINC001186681501 1069188410 /nfs/dbraw/zinc/18/84/10/1069188410.db2.gz KDQOKCQCRUVTBC-AABGKKOBSA-N -1 0 475.542 0.693 20 0 JCADRM COC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])CCN1C(C)=O ZINC001186681502 1069188329 /nfs/dbraw/zinc/18/83/29/1069188329.db2.gz KDQOKCQCRUVTBC-HSALFYBXSA-N -1 0 475.542 0.693 20 0 JCADRM COC(=O)[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])CCN1C(C)=O ZINC001186681681 1069188285 /nfs/dbraw/zinc/18/82/85/1069188285.db2.gz KDQOKCQCRUVTBC-SLFFLAALSA-N -1 0 475.542 0.693 20 0 JCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])CCN1C(C)=O ZINC001186681682 1069188298 /nfs/dbraw/zinc/18/82/98/1069188298.db2.gz KDQOKCQCRUVTBC-UFYCRDLUSA-N -1 0 475.542 0.693 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)CNC(=O)CO2)C(=O)[O-] ZINC001186682190 1069188962 /nfs/dbraw/zinc/18/89/62/1069188962.db2.gz OEZCIMNVVANIMD-MOPGFXCFSA-N -1 0 459.543 0.968 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)CNC(=O)CO2)C(=O)[O-] ZINC001186682191 1069188975 /nfs/dbraw/zinc/18/89/75/1069188975.db2.gz OEZCIMNVVANIMD-OALUTQOASA-N -1 0 459.543 0.968 20 0 JCADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001186682526 1069188984 /nfs/dbraw/zinc/18/89/84/1069188984.db2.gz PSEAOKBADRZSCT-CEXWTWQISA-N -1 0 475.542 0.741 20 0 JCADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001186682527 1069188945 /nfs/dbraw/zinc/18/89/45/1069188945.db2.gz PSEAOKBADRZSCT-FHWLQOOXSA-N -1 0 475.542 0.741 20 0 JCADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001186682528 1069189107 /nfs/dbraw/zinc/18/91/07/1069189107.db2.gz PSEAOKBADRZSCT-GBESFXJTSA-N -1 0 475.542 0.741 20 0 JCADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001186682530 1069188927 /nfs/dbraw/zinc/18/89/27/1069188927.db2.gz PSEAOKBADRZSCT-QYZOEREBSA-N -1 0 475.542 0.741 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncncn2)CC1)C(=O)[O-] ZINC001186682929 1069189050 /nfs/dbraw/zinc/18/90/50/1069189050.db2.gz RUCQDGQJRWYIKP-MOPGFXCFSA-N -1 0 454.531 0.995 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)N1CCN(c2ncncn2)CC1)C(=O)[O-] ZINC001186682930 1069188951 /nfs/dbraw/zinc/18/89/51/1069188951.db2.gz RUCQDGQJRWYIKP-OALUTQOASA-N -1 0 454.531 0.995 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)COCC(=O)N2)C(=O)[O-] ZINC001186683288 1069179724 /nfs/dbraw/zinc/17/97/24/1069179724.db2.gz UHKLXGJOCKLWKS-MOPGFXCFSA-N -1 0 459.543 0.968 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)COCC(=O)N2)C(=O)[O-] ZINC001186683289 1069179710 /nfs/dbraw/zinc/17/97/10/1069179710.db2.gz UHKLXGJOCKLWKS-OALUTQOASA-N -1 0 459.543 0.968 20 0 JCADRM CC(=O)NCc1nnc2n1CCN(C(=O)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C2 ZINC001186683689 1069180273 /nfs/dbraw/zinc/18/02/73/1069180273.db2.gz UYFUFBIIDBWBRV-MOPGFXCFSA-N -1 0 484.557 0.731 20 0 JCADRM CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C2 ZINC001186683692 1069180287 /nfs/dbraw/zinc/18/02/87/1069180287.db2.gz UYFUFBIIDBWBRV-OALUTQOASA-N -1 0 484.557 0.731 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)NCCCN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001186688695 1069180303 /nfs/dbraw/zinc/18/03/03/1069180303.db2.gz ABFNWBYZMVNJEF-PMACEKPBSA-N -1 0 481.615 0.698 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NCCCN1CCS(=O)(=O)CC1)C(=O)[O-] ZINC001186688697 1069180204 /nfs/dbraw/zinc/18/02/04/1069180204.db2.gz ABFNWBYZMVNJEF-UXHICEINSA-N -1 0 481.615 0.698 20 0 JCADRM CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)NCc1nnn[n-]1 ZINC001186689442 1069180185 /nfs/dbraw/zinc/18/01/85/1069180185.db2.gz DGCNOCVOTLVURP-RYUDHWBXSA-N -1 0 461.614 0.700 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NCCOCCN1C(=O)C=CC1=O)C(=O)[O-] ZINC001186689632 1069180218 /nfs/dbraw/zinc/18/02/18/1069180218.db2.gz FSCFDBUFNWOULS-MOPGFXCFSA-N -1 0 473.526 0.519 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)NCCOCCN1C(=O)C=CC1=O)C(=O)[O-] ZINC001186689633 1069180269 /nfs/dbraw/zinc/18/02/69/1069180269.db2.gz FSCFDBUFNWOULS-OALUTQOASA-N -1 0 473.526 0.519 20 0 JCADRM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)NCS(=O)(=O)[O-] ZINC001186689866 1069180309 /nfs/dbraw/zinc/18/03/09/1069180309.db2.gz FWMUAVGZXCCDDP-RYUDHWBXSA-N -1 0 473.639 0.832 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC001186690329 1069180251 /nfs/dbraw/zinc/18/02/51/1069180251.db2.gz IUWIIHQMXWKKFU-MSOLQXFVSA-N -1 0 453.561 0.613 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)NCCN1CCCS1(=O)=O)C(=O)[O-] ZINC001186690330 1069180334 /nfs/dbraw/zinc/18/03/34/1069180334.db2.gz IUWIIHQMXWKKFU-ROUUACIJSA-N -1 0 453.561 0.613 20 0 JCADRM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CO[N-]C1=O ZINC001186691625 1069180993 /nfs/dbraw/zinc/18/09/93/1069180993.db2.gz YVYPCEHWWJJHQF-RWMBFGLXSA-N -1 0 464.610 0.417 20 0 JCADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001186704037 1069186981 /nfs/dbraw/zinc/18/69/81/1069186981.db2.gz TYEDVEKJGUJYEW-INIZCTEOSA-N -1 0 459.480 0.738 20 0 JCADRM COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001186706766 1069186998 /nfs/dbraw/zinc/18/69/98/1069186998.db2.gz DJLPJTRCKIDCCA-IBGZPJMESA-N -1 0 489.550 0.924 20 0 JCADRM COc1cc(OC)nc(Oc2cccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])c2)n1 ZINC001186758028 1069189688 /nfs/dbraw/zinc/18/96/88/1069189688.db2.gz BBHJERIFHJRRKS-INIZCTEOSA-N -1 0 484.469 0.941 20 0 JCADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001186775541 1069193540 /nfs/dbraw/zinc/19/35/40/1069193540.db2.gz OZUNKDYDZKKSLT-MPKXVKKWSA-N -1 0 462.446 0.544 20 0 JCADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001186775542 1069193700 /nfs/dbraw/zinc/19/37/00/1069193700.db2.gz OZUNKDYDZKKSLT-ZKYQVNSYSA-N -1 0 462.446 0.544 20 0 JCADRM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F)C(=O)NCC(N)=O ZINC001186780198 1069193924 /nfs/dbraw/zinc/19/39/24/1069193924.db2.gz VERYUXGNKDMROJ-STQMWFEESA-N -1 0 458.437 0.547 20 0 JCADRM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(F)c(F)c([O-])c1F)C(N)=O ZINC001186801915 1069191861 /nfs/dbraw/zinc/19/18/61/1069191861.db2.gz NQOKSAVHEUUJIG-STQMWFEESA-N -1 0 492.520 0.793 20 0 JCADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)C1 ZINC001186805617 1069192588 /nfs/dbraw/zinc/19/25/88/1069192588.db2.gz VTARRBIGNNEKOW-HRAATJIYSA-N -1 0 466.512 0.751 20 0 JCADRM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)C1 ZINC001186805618 1069192549 /nfs/dbraw/zinc/19/25/49/1069192549.db2.gz VTARRBIGNNEKOW-IERDGZPVSA-N -1 0 466.512 0.751 20 0 JCADRM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)C1 ZINC001186805620 1069192449 /nfs/dbraw/zinc/19/24/49/1069192449.db2.gz VTARRBIGNNEKOW-IIBYNOLFSA-N -1 0 466.512 0.751 20 0 JCADRM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)C1 ZINC001186805622 1069192403 /nfs/dbraw/zinc/19/24/03/1069192403.db2.gz VTARRBIGNNEKOW-KKSFZXQISA-N -1 0 466.512 0.751 20 0 JCADRM O=S(=O)([N-]c1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1)c1ccco1 ZINC001186820007 1069203402 /nfs/dbraw/zinc/20/34/02/1069203402.db2.gz LKSHWEBANZCALX-DJLDLDEBSA-N -1 0 460.266 0.623 20 0 JCADRM CS(=O)(=O)c1cc(Br)ccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001186827170 1069203106 /nfs/dbraw/zinc/20/31/06/1069203106.db2.gz QSQXMKKWCXJDOK-ZDUSSCGKSA-N -1 0 487.332 0.508 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCCN2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848945 1069201277 /nfs/dbraw/zinc/20/12/77/1069201277.db2.gz QTCLKWNPFODERK-AJNGGQMLSA-N -1 0 460.553 0.369 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@@H]2CCCCN2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848946 1069201453 /nfs/dbraw/zinc/20/14/53/1069201453.db2.gz QTCLKWNPFODERK-XGUBFFRZSA-N -1 0 460.553 0.369 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCCN2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848947 1069201787 /nfs/dbraw/zinc/20/17/87/1069201787.db2.gz QTCLKWNPFODERK-XQLPTFJDSA-N -1 0 460.553 0.369 20 0 JCADRM C[C@H]1[C@H](NC(=O)[C@H]2CCCCN2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848948 1069201847 /nfs/dbraw/zinc/20/18/47/1069201847.db2.gz QTCLKWNPFODERK-YJNKXOJESA-N -1 0 460.553 0.369 20 0 JCADRM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC001186849580 1069201743 /nfs/dbraw/zinc/20/17/43/1069201743.db2.gz DIBQGNPKOIDVRF-UHFFFAOYSA-N -1 0 452.624 0.465 20 0 JCADRM O=C(/C=C/c1cccc(OCc2ccccc2)c1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001186856296 1069204474 /nfs/dbraw/zinc/20/44/74/1069204474.db2.gz DUDDSDVBZIXDGD-QMPGMIGOSA-N -1 0 495.506 0.022 20 0 JCADRM O=C(/C=C/c1cccc(OCc2ccccc2)c1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001186856300 1069204759 /nfs/dbraw/zinc/20/47/59/1069204759.db2.gz DUDDSDVBZIXDGD-ZTHFJRKNSA-N -1 0 495.506 0.022 20 0 JCADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001186877154 1069203357 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JCADRM CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])C2 ZINC001191025342 1069388620 /nfs/dbraw/zinc/38/86/20/1069388620.db2.gz MAGQXAJOYBELEP-IBGZPJMESA-N -1 0 475.951 0.419 20 0 JCADRM CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])C2 ZINC001191025343 1069388519 /nfs/dbraw/zinc/38/85/19/1069388519.db2.gz MAGQXAJOYBELEP-LJQANCHMSA-N -1 0 475.951 0.419 20 0 JCADRM Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])cn1 ZINC001191025357 1069389483 /nfs/dbraw/zinc/38/94/83/1069389483.db2.gz MHHWAMCXWNQHPD-UONOGXRCSA-N -1 0 453.908 0.556 20 0 JCADRM NS(=O)(=O)c1cc(C(=O)N2CCCn3c(Cn4cccn4)nnc3C2)c([O-])cc1Cl ZINC001191025447 1069389815 /nfs/dbraw/zinc/38/98/15/1069389815.db2.gz NIYVHPIOPWVOCG-UHFFFAOYSA-N -1 0 451.896 0.575 20 0 JCADRM CC(C)(C)OC(=O)Nc1cnc(Cl)cc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001191025453 1069389624 /nfs/dbraw/zinc/38/96/24/1069389624.db2.gz SWFCNGSXPKBDMY-UHFFFAOYSA-N -1 0 475.871 0.792 20 0 JCADRM 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JCADRM CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])C2 ZINC001191025605 1069389777 /nfs/dbraw/zinc/38/97/77/1069389777.db2.gz PUHFWOMHZYBBAC-UHFFFAOYSA-N -1 0 456.912 0.309 20 0 JCADRM Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-])CC2 ZINC001191025653 1069389722 /nfs/dbraw/zinc/38/97/22/1069389722.db2.gz QWJBDFWQKDMYKG-UHFFFAOYSA-N -1 0 496.977 0.013 20 0 JCADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)c([O-])cc1Cl ZINC001191025695 1069389865 /nfs/dbraw/zinc/38/98/65/1069389865.db2.gz RFYFUVPWBNTOAM-BKGUAONASA-N -1 0 495.945 0.533 20 0 JCADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)c([O-])cc1Cl ZINC001191025701 1069389792 /nfs/dbraw/zinc/38/97/92/1069389792.db2.gz RFYFUVPWBNTOAM-DJCROIMJSA-N -1 0 495.945 0.533 20 0 JCADRM NS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)c([O-])cc1Cl ZINC001191025706 1069389451 /nfs/dbraw/zinc/38/94/51/1069389451.db2.gz RFYFUVPWBNTOAM-GEWABHDNSA-N -1 0 495.945 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CCOc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)cc1C(=O)[O-] ZINC001192618852 1069462245 /nfs/dbraw/zinc/46/22/45/1069462245.db2.gz KDNDDCCAERNXDU-CQSZACIVSA-N -1 0 466.516 0.563 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CCOC)CCN3C)cc1C(=O)[O-] ZINC001192619374 1069462257 /nfs/dbraw/zinc/46/22/57/1069462257.db2.gz MRGKXDQPYHARFH-UHFFFAOYSA-N -1 0 469.560 0.727 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCn3c(CN4CCOCC4)nnc3C2)cc1C(=O)[O-] ZINC001192619414 1069462286 /nfs/dbraw/zinc/46/22/86/1069462286.db2.gz NAQJFMGXGLONRW-UHFFFAOYSA-N -1 0 451.505 0.412 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)cc1C(=O)[O-] ZINC001192619530 1069462356 /nfs/dbraw/zinc/46/23/56/1069462356.db2.gz OFBAINSZPGGNRA-KBAYOESNSA-N -1 0 454.501 0.563 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC[C@]3(CCC(=O)N3CC(=O)NC)C2)cc1C(=O)[O-] ZINC001192619557 1069462373 /nfs/dbraw/zinc/46/23/73/1069462373.db2.gz OTZRSMYEUXSIKE-FQEVSTJZSA-N -1 0 453.517 0.675 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC[C@@]3(CCC(=O)N3CC(=O)NC)C2)cc1C(=O)[O-] ZINC001192619558 1069462458 /nfs/dbraw/zinc/46/24/58/1069462458.db2.gz OTZRSMYEUXSIKE-HXUWFJFHSA-N -1 0 453.517 0.675 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCO[C@H]3[C@H](OCC(=O)N(C)C)CC[C@@H]32)cc1C(=O)[O-] ZINC001192619563 1069462276 /nfs/dbraw/zinc/46/22/76/1069462276.db2.gz PBYTXNMPOLLLIO-KVSKMBFKSA-N -1 0 456.517 0.809 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)cc1C(=O)[O-] ZINC001192620088 1069462409 /nfs/dbraw/zinc/46/24/09/1069462409.db2.gz PTHVOUDVZRFBGG-UHFFFAOYSA-N -1 0 494.526 0.197 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)cc1C(=O)[O-] ZINC001192620185 1069462449 /nfs/dbraw/zinc/46/24/49/1069462449.db2.gz RURPVAHPTVMOPE-DJIMGWMZSA-N -1 0 462.484 0.391 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC[C@@]3(C[C@@H](OCC(=O)NC)CO3)C2)cc1C(=O)[O-] ZINC001192620194 1069462381 /nfs/dbraw/zinc/46/23/81/1069462381.db2.gz SBUXWZVFITUCMN-JLTOFOAXSA-N -1 0 456.517 0.858 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC[C@@]3(C[C@H](OCC(=O)NC)CO3)C2)cc1C(=O)[O-] ZINC001192620195 1069462465 /nfs/dbraw/zinc/46/24/65/1069462465.db2.gz SBUXWZVFITUCMN-VBKZILBWSA-N -1 0 456.517 0.858 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC[C@]3(C[C@@H](OCC(=O)NC)CO3)C2)cc1C(=O)[O-] ZINC001192620196 1069462215 /nfs/dbraw/zinc/46/22/15/1069462215.db2.gz SBUXWZVFITUCMN-VLIAUNLRSA-N -1 0 456.517 0.858 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC[C@]3(C[C@H](OCC(=O)NC)CO3)C2)cc1C(=O)[O-] ZINC001192620197 1069462440 /nfs/dbraw/zinc/46/24/40/1069462440.db2.gz SBUXWZVFITUCMN-XOBRGWDASA-N -1 0 456.517 0.858 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)cc1C(=O)[O-] ZINC001192620217 1069462402 /nfs/dbraw/zinc/46/24/02/1069462402.db2.gz SSPYLNXNWMXNCB-VLIAUNLRSA-N -1 0 456.517 0.525 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)cc1C(=O)[O-] ZINC001192620906 1069462198 /nfs/dbraw/zinc/46/21/98/1069462198.db2.gz ZTAOTCZNXHALDQ-UHFFFAOYSA-N -1 0 491.570 0.652 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCCn3c(=O)cc(CNC(=O)C4CC4)nc3C2)cc1C(=O)[O-] ZINC001192626827 1069462302 /nfs/dbraw/zinc/46/23/02/1069462302.db2.gz BSKYUYSFTDLSLC-UHFFFAOYSA-N -1 0 490.538 0.961 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCCn3c(CN(C)C(C)=O)nnc3C2)cc1C(=O)[O-] ZINC001192626872 1069462880 /nfs/dbraw/zinc/46/28/80/1069462880.db2.gz COUGBIWGDUYLMW-UHFFFAOYSA-N -1 0 451.505 0.948 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)cc1C(=O)[O-] ZINC001192626875 1069462847 /nfs/dbraw/zinc/46/28/47/1069462847.db2.gz CPYLFXOFUYXJCH-NRFANRHFSA-N -1 0 494.526 0.340 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)cc1C(=O)[O-] ZINC001192626876 1069462997 /nfs/dbraw/zinc/46/29/97/1069462997.db2.gz CPYLFXOFUYXJCH-OAQYLSRUSA-N -1 0 494.526 0.340 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCOCC3)C2)cc1C(=O)[O-] ZINC001192627120 1069462964 /nfs/dbraw/zinc/46/29/64/1069462964.db2.gz FNFBAQFONMZBAK-HNNXBMFYSA-N -1 0 478.527 0.660 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCOCC3)C2)cc1C(=O)[O-] ZINC001192627121 1069463023 /nfs/dbraw/zinc/46/30/23/1069463023.db2.gz FNFBAQFONMZBAK-OAHLLOKOSA-N -1 0 478.527 0.660 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)cc1C(=O)[O-] ZINC001192627143 1069462906 /nfs/dbraw/zinc/46/29/06/1069462906.db2.gz GBCSSPGOENVBPB-DDUZABMNSA-N -1 0 454.501 0.420 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)cc1C(=O)[O-] ZINC001192627145 1069462855 /nfs/dbraw/zinc/46/28/55/1069462855.db2.gz GBCSSPGOENVBPB-QIIPPGSGSA-N -1 0 454.501 0.420 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)cc1C(=O)[O-] ZINC001192627154 1069462885 /nfs/dbraw/zinc/46/28/85/1069462885.db2.gz GGVLBZAOOOGNKQ-ADLFWFRXSA-N -1 0 492.554 0.973 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cc1C(=O)[O-] ZINC001192627165 1069462937 /nfs/dbraw/zinc/46/29/37/1069462937.db2.gz GKEPBVRAUUNVLG-XYPHTWIQSA-N -1 0 454.501 0.831 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)cc1C(=O)[O-] ZINC001192627181 1069462990 /nfs/dbraw/zinc/46/29/90/1069462990.db2.gz GVRKAAYDJZECSF-MDZRGWNJSA-N -1 0 482.555 0.916 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]4[C@@](CN(CC(C)C)S4(=O)=O)(C2)O3)cc1C(=O)[O-] ZINC001192627189 1069463014 /nfs/dbraw/zinc/46/30/14/1069463014.db2.gz HKAVKXADJPPLII-HEFCMCLBSA-N -1 0 488.584 0.986 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)cc1C(=O)[O-] ZINC001192627197 1069462971 /nfs/dbraw/zinc/46/29/71/1069462971.db2.gz HPKPMLPQPSSHDE-UHFFFAOYSA-N -1 0 483.587 0.975 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)cc1C(=O)[O-] ZINC001192627616 1069462826 /nfs/dbraw/zinc/46/28/26/1069462826.db2.gz LBEMBJFWHXOQIA-AOIWGVFYSA-N -1 0 476.511 0.924 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)cc1C(=O)[O-] ZINC001192627892 1069462867 /nfs/dbraw/zinc/46/28/67/1069462867.db2.gz MCSHLHKGMDUCDJ-QAPCUYQASA-N -1 0 456.517 0.668 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C2)cc1C(=O)[O-] ZINC001192627893 1069462872 /nfs/dbraw/zinc/46/28/72/1069462872.db2.gz SYGVSGALKGMEEW-AWEZNQCLSA-N -1 0 457.505 0.879 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)C2)cc1C(=O)[O-] ZINC001192627896 1069463004 /nfs/dbraw/zinc/46/30/04/1069463004.db2.gz SYGVSGALKGMEEW-CQSZACIVSA-N -1 0 457.505 0.879 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2Cc3c(n(C)nc3C(=O)N3CCOCC3)C2)cc1C(=O)[O-] ZINC001192627953 1069462915 /nfs/dbraw/zinc/46/29/15/1069462915.db2.gz MRVKJBAWVDXOPS-UHFFFAOYSA-N -1 0 464.500 0.694 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)cc1C(=O)[O-] ZINC001192627974 1069462946 /nfs/dbraw/zinc/46/29/46/1069462946.db2.gz NHVMMJGWHMWYQW-RIFZZMRRSA-N -1 0 492.554 0.973 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)cc1C(=O)[O-] ZINC001192628047 1069462954 /nfs/dbraw/zinc/46/29/54/1069462954.db2.gz NZUVBBNICGMWBZ-UHFFFAOYSA-N -1 0 467.504 0.184 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)cc1C(=O)[O-] ZINC001192628113 1069463399 /nfs/dbraw/zinc/46/33/99/1069463399.db2.gz OWYPNXYZYBBFBW-NRFANRHFSA-N -1 0 478.527 0.870 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)cc1C(=O)[O-] ZINC001192628118 1069463557 /nfs/dbraw/zinc/46/35/57/1069463557.db2.gz OWYPNXYZYBBFBW-OAQYLSRUSA-N -1 0 478.527 0.870 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)cc1C(=O)[O-] ZINC001192628140 1069463582 /nfs/dbraw/zinc/46/35/82/1069463582.db2.gz PGBJGAPICJDGSF-UHFFFAOYSA-N -1 0 476.573 0.846 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)cc1C(=O)[O-] ZINC001192628193 1069463389 /nfs/dbraw/zinc/46/33/89/1069463389.db2.gz QJPYHOUFOGXASP-JFIYKMOQSA-N -1 0 478.527 0.868 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)cc1C(=O)[O-] ZINC001192628194 1069463411 /nfs/dbraw/zinc/46/34/11/1069463411.db2.gz QJPYHOUFOGXASP-LZLYRXPVSA-N -1 0 478.527 0.868 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)cc1C(=O)[O-] ZINC001192628214 1069463504 /nfs/dbraw/zinc/46/35/04/1069463504.db2.gz QUXKLARXCNJVNB-JFIYKMOQSA-N -1 0 463.512 0.940 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)cc1C(=O)[O-] ZINC001192628258 1069463647 /nfs/dbraw/zinc/46/36/47/1069463647.db2.gz RFRMBKOQAQTMKQ-YQVWRLOYSA-N -1 0 478.527 0.868 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)cc1C(=O)[O-] ZINC001192628259 1069463477 /nfs/dbraw/zinc/46/34/77/1069463477.db2.gz RFRMBKOQAQTMKQ-ZHALLVOQSA-N -1 0 478.527 0.868 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)cc1C(=O)[O-] ZINC001192628279 1069463376 /nfs/dbraw/zinc/46/33/76/1069463376.db2.gz RKGVLYUCZMGFKK-UHFFFAOYSA-N -1 0 477.539 0.823 20 0 JCADRM CCOc1ccc(S(=O)(=O)N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)cc1C(=O)[O-] ZINC001192628681 1069463522 /nfs/dbraw/zinc/46/35/22/1069463522.db2.gz XFIJAOCQIAQPFO-ZIAGYGMSSA-N -1 0 461.562 0.532 20 0 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