smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013028375 1071202264 /nfs/dbraw/zinc/20/22/64/1071202264.db2.gz YQZVUKOMRIOZRE-RISCZKNCSA-N -1 0 420.465 -1.084 20 0 HAADRM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013028376 1071202506 /nfs/dbraw/zinc/20/25/06/1071202506.db2.gz YQZVUKOMRIOZRE-FZMZJTMJSA-N -1 0 420.465 -1.084 20 0 HAADRM CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000029192661 1071167970 /nfs/dbraw/zinc/16/79/70/1071167970.db2.gz RTSNPGWCEPSMDS-MRVPVSSYSA-N -1 0 409.262 -1.161 20 0 HAADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000029192664 1071167799 /nfs/dbraw/zinc/16/77/99/1071167799.db2.gz RTSNPGWCEPSMDS-QMMMGPOBSA-N -1 0 409.262 -1.161 20 0 HAADRM O=C(CN1CCS(=O)(=O)CC1)N[N-]C(=O)c1csc(N2CCOCC2)n1 ZINC000045877063 1071389109 /nfs/dbraw/zinc/38/91/09/1071389109.db2.gz RROFYNICBMKMHY-UHFFFAOYSA-N -1 0 403.486 -1.529 20 0 HAADRM O=C(C(=O)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1)N1CCOCC1 ZINC000047477518 1071579725 /nfs/dbraw/zinc/57/97/25/1071579725.db2.gz ZOGKKHLXXIYVGY-UHFFFAOYSA-N -1 0 416.394 -1.833 20 0 HAADRM O=C(CN1CCOCC1)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000047477744 1070815551 /nfs/dbraw/zinc/81/55/51/1070815551.db2.gz QVYZYZLBWQKFSL-UHFFFAOYSA-N -1 0 402.411 -1.360 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)C(=O)C1=O ZINC000048478597 1072033007 /nfs/dbraw/zinc/03/30/07/1072033007.db2.gz IPVSNKMYUGIGNL-UHFFFAOYSA-N -1 0 407.412 -1.002 20 0 HAADRM Cn1c2ccc(S(=O)(=O)[N-]NC(=O)[C@@H]3CCS(=O)(=O)C3)cc2n(C)c1=O ZINC000050531290 1072709301 /nfs/dbraw/zinc/70/93/01/1072709301.db2.gz OUBCJTQVUVQWQK-SECBINFHSA-N -1 0 402.454 -1.379 20 0 HAADRM Cn1c2ccc(S(=O)(=O)[N-]NC(=O)[C@H]3CCS(=O)(=O)C3)cc2n(C)c1=O ZINC000050531291 1072709377 /nfs/dbraw/zinc/70/93/77/1072709377.db2.gz OUBCJTQVUVQWQK-VIFPVBQESA-N -1 0 402.454 -1.379 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)OC)CC2)C(=O)C1=O ZINC000052766347 1070874016 /nfs/dbraw/zinc/87/40/16/1070874016.db2.gz URKXLXMSOHRGFI-UHFFFAOYSA-N -1 0 404.445 -1.237 20 0 HAADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000052767233 1070874168 /nfs/dbraw/zinc/87/41/68/1070874168.db2.gz MQDFVFPCUNAPNL-UHFFFAOYSA-N -1 0 412.428 -1.624 20 0 HAADRM O=C(C(=O)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1)N1CCCC1 ZINC000053965381 1071208803 /nfs/dbraw/zinc/20/88/03/1071208803.db2.gz RWHQUXPGVOZPBE-UHFFFAOYSA-N -1 0 400.395 -1.070 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1)c(=O)n2C ZINC000057268708 1071586618 /nfs/dbraw/zinc/58/66/18/1071586618.db2.gz NFHJNXLLHXPQLP-UHFFFAOYSA-N -1 0 414.429 -1.705 20 0 HAADRM O=C([O-])COCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC000082010654 1072773819 /nfs/dbraw/zinc/77/38/19/1072773819.db2.gz HUXYXKLNIPAUFV-UHFFFAOYSA-N -1 0 406.461 -1.357 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)C(=O)C1=O ZINC000141168915 1071624456 /nfs/dbraw/zinc/62/44/56/1071624456.db2.gz OPHGZDUPXHJXET-UHFFFAOYSA-N -1 0 411.440 -1.650 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC000428325940 1071136473 /nfs/dbraw/zinc/13/64/73/1071136473.db2.gz IBWWVCIWBUCIKH-UHFFFAOYSA-N -1 0 409.456 -1.507 20 0 HAADRM CNS(=O)(=O)NC1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000431589276 1070886612 /nfs/dbraw/zinc/88/66/12/1070886612.db2.gz WXXJDLKPZCHPNQ-UHFFFAOYSA-N -1 0 418.457 -1.357 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)CC1 ZINC000435139391 1071008890 /nfs/dbraw/zinc/00/88/90/1071008890.db2.gz CNKWSNJJHIUHQQ-UHFFFAOYSA-N -1 0 400.461 -2.264 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@H](CNC(=O)c2c[nH]c(=O)n(C)c2=O)C2CC2)c1=O ZINC000435139877 1071009118 /nfs/dbraw/zinc/00/91/18/1071009118.db2.gz YCDCVNUUSDZADP-LLVKDONJSA-N -1 0 404.383 -1.776 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@@H](CNC(=O)c2c[nH]c(=O)n(C)c2=O)C2CC2)c1=O ZINC000435139882 1071008935 /nfs/dbraw/zinc/00/89/35/1071008935.db2.gz YCDCVNUUSDZADP-NSHDSACASA-N -1 0 404.383 -1.776 20 0 HAADRM C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)C[C@H](C)O1 ZINC000435234195 1071010182 /nfs/dbraw/zinc/01/01/82/1071010182.db2.gz FNDPXTYGRUBRRZ-RYUDHWBXSA-N -1 0 415.472 -1.402 20 0 HAADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)C[C@H](C)O1 ZINC000435234196 1071009954 /nfs/dbraw/zinc/00/99/54/1071009954.db2.gz FNDPXTYGRUBRRZ-TXEJJXNPSA-N -1 0 415.472 -1.402 20 0 HAADRM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000435234197 1071010091 /nfs/dbraw/zinc/01/00/91/1071010091.db2.gz FNDPXTYGRUBRRZ-VXGBXAGGSA-N -1 0 415.472 -1.402 20 0 HAADRM Cn1c([O-])ncc(C(=O)NCC(C)(C)CNC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000435362970 1071011109 /nfs/dbraw/zinc/01/11/09/1071011109.db2.gz JOSNMZSTCZDDFD-UHFFFAOYSA-N -1 0 406.399 -1.529 20 0 HAADRM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000435367016 1071011231 /nfs/dbraw/zinc/01/12/31/1071011231.db2.gz QUVNLWIJUHCNIZ-UHFFFAOYSA-N -1 0 406.487 -1.204 20 0 HAADRM O=C(c1cccc(C(=O)N2CCN(CCO)CC2)c1[O-])N1CCN(CCO)CC1 ZINC000436862341 1071018853 /nfs/dbraw/zinc/01/88/53/1071018853.db2.gz YIWKESYEYOJKIT-UHFFFAOYSA-N -1 0 406.483 -1.108 20 0 HAADRM CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437218495 1071020809 /nfs/dbraw/zinc/02/08/09/1071020809.db2.gz RUQJINGCDCCJHF-JTQLQIEISA-N -1 0 410.412 -1.549 20 0 HAADRM CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437218497 1071020789 /nfs/dbraw/zinc/02/07/89/1071020789.db2.gz RUQJINGCDCCJHF-SNVBAGLBSA-N -1 0 410.412 -1.549 20 0 HAADRM O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437234298 1071021279 /nfs/dbraw/zinc/02/12/79/1071021279.db2.gz ALSAKILTGSARJB-UHFFFAOYSA-N -1 0 422.423 -1.453 20 0 HAADRM CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437236816 1071020927 /nfs/dbraw/zinc/02/09/27/1071020927.db2.gz NBVQWRUYWBWFBQ-UHFFFAOYSA-N -1 0 424.439 -1.205 20 0 HAADRM CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437246072 1071021099 /nfs/dbraw/zinc/02/10/99/1071021099.db2.gz UELLGXGVLWADIL-UHFFFAOYSA-N -1 0 424.439 -1.207 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)cn1 ZINC000438771629 1071031411 /nfs/dbraw/zinc/03/14/11/1071031411.db2.gz NPZPOYGRRFMMES-UHFFFAOYSA-N -1 0 412.428 -1.088 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)cn1 ZINC000438774164 1071031157 /nfs/dbraw/zinc/03/11/57/1071031157.db2.gz DGZQIAQIUUVUFH-UHFFFAOYSA-N -1 0 412.428 -1.088 20 0 HAADRM CCS(=O)(=O)N1CC(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000438889381 1071032379 /nfs/dbraw/zinc/03/23/79/1071032379.db2.gz ZNELHXYEQGXOKR-UHFFFAOYSA-N -1 0 403.442 -1.004 20 0 HAADRM O=C(CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)N1CCNC(=O)C1 ZINC000439272558 1071038460 /nfs/dbraw/zinc/03/84/60/1071038460.db2.gz LIEXGXBWHLJPHU-UHFFFAOYSA-N -1 0 401.411 -1.605 20 0 HAADRM O=C([O-])Cn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nn1 ZINC000439691754 1071042183 /nfs/dbraw/zinc/04/21/83/1071042183.db2.gz BUMQIQQOLQRHIQ-UHFFFAOYSA-N -1 0 422.423 -1.587 20 0 HAADRM CN1CCN(CC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1=O ZINC000440011733 1071044791 /nfs/dbraw/zinc/04/47/91/1071044791.db2.gz JRFNJHNKIFBHBI-UHFFFAOYSA-N -1 0 415.438 -1.262 20 0 HAADRM CN(CC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)S(C)(=O)=O ZINC000440019296 1071045311 /nfs/dbraw/zinc/04/53/11/1071045311.db2.gz BSIJCNNIHXZWEQ-UHFFFAOYSA-N -1 0 410.440 -1.145 20 0 HAADRM O=C(CN1CCCS1(=O)=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440021700 1071045285 /nfs/dbraw/zinc/04/52/85/1071045285.db2.gz XVPLKEPKKDTRCM-UHFFFAOYSA-N -1 0 422.451 -1.001 20 0 HAADRM CN(C)S(=O)(=O)CC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440029293 1071045291 /nfs/dbraw/zinc/04/52/91/1071045291.db2.gz RNRMVUXWOJTMOR-UHFFFAOYSA-N -1 0 410.440 -1.145 20 0 HAADRM CCS(=O)(=O)NCC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440031511 1071045296 /nfs/dbraw/zinc/04/52/96/1071045296.db2.gz VYDIVNAFFCPLKN-UHFFFAOYSA-N -1 0 410.440 -1.097 20 0 HAADRM Cn1cnn(CC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)c1=O ZINC000440036131 1071045422 /nfs/dbraw/zinc/04/54/22/1071045422.db2.gz IPYIWNLYGLDNBH-UHFFFAOYSA-N -1 0 400.383 -1.441 20 0 HAADRM COc1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000443145669 1071109503 /nfs/dbraw/zinc/10/95/03/1071109503.db2.gz NCIDZKJXPZQSSV-UHFFFAOYSA-N -1 0 404.426 -1.459 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cn1 ZINC000443362539 1071113686 /nfs/dbraw/zinc/11/36/86/1071113686.db2.gz QIYOGFWUARXPPE-UHFFFAOYSA-N -1 0 408.396 -1.198 20 0 HAADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000446012366 1071161898 /nfs/dbraw/zinc/16/18/98/1071161898.db2.gz RSZGGDIQXNKWJH-LURJTMIESA-N -1 0 409.475 -1.051 20 0 HAADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000446012367 1071162919 /nfs/dbraw/zinc/16/29/19/1071162919.db2.gz RSZGGDIQXNKWJH-ZCFIWIBFSA-N -1 0 409.475 -1.051 20 0 HAADRM O=C(CS(=O)(=O)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1)N1CCNC(=O)C1 ZINC000447494552 1071177996 /nfs/dbraw/zinc/17/79/96/1071177996.db2.gz YISYLNBYXCYKFQ-UHFFFAOYSA-N -1 0 407.408 -1.025 20 0 HAADRM O=C(NCCc1nc(=O)o[n-]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000447635280 1071178059 /nfs/dbraw/zinc/17/80/59/1071178059.db2.gz YPZFLIMMTDQTDN-PWSUYJOCSA-N -1 0 400.388 -1.015 20 0 HAADRM CNS(=O)(=O)c1ccc(OC)cc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000464422387 1071454589 /nfs/dbraw/zinc/45/45/89/1071454589.db2.gz VUCGNFUQYWLAOQ-UHFFFAOYSA-N -1 0 418.453 -1.199 20 0 HAADRM Cn1c2c(ccn2CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c(=O)n(C)c1=O ZINC000465071743 1071460388 /nfs/dbraw/zinc/46/03/88/1071460388.db2.gz OXZBBNVFBFPIAT-UHFFFAOYSA-N -1 0 413.441 -1.100 20 0 HAADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1=Nc3ccccc3S(=O)(=O)[N-]1)C2 ZINC000467280208 1071916312 /nfs/dbraw/zinc/91/63/12/1071916312.db2.gz GDFIARDGNMBGME-UHFFFAOYSA-N -1 0 419.467 -1.029 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000467290473 1071916977 /nfs/dbraw/zinc/91/69/77/1071916977.db2.gz QXQIIOKLMBYIRB-UHFFFAOYSA-N -1 0 423.455 -1.386 20 0 HAADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000467466245 1071918525 /nfs/dbraw/zinc/91/85/25/1071918525.db2.gz CWAUACYZGHPLTJ-UHFFFAOYSA-N -1 0 408.440 -1.007 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC(=O)NCCN2CCOCC2)c1 ZINC000467723749 1071919968 /nfs/dbraw/zinc/91/99/68/1071919968.db2.gz PZWLIGCQXHNKAA-UHFFFAOYSA-N -1 0 414.484 -1.179 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@H](CNC(=O)c2c[nH]c(=O)n(C)c2=O)C(C)(C)C)c1=O ZINC000467774817 1071920448 /nfs/dbraw/zinc/92/04/48/1071920448.db2.gz XPQSTUIEQMWSQY-LLVKDONJSA-N -1 0 420.426 -1.140 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@@H](CNC(=O)c2c[nH]c(=O)n(C)c2=O)C(C)(C)C)c1=O ZINC000467774818 1071920458 /nfs/dbraw/zinc/92/04/58/1071920458.db2.gz XPQSTUIEQMWSQY-NSHDSACASA-N -1 0 420.426 -1.140 20 0 HAADRM O=C(CN1CCOCC1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000468375323 1071925412 /nfs/dbraw/zinc/92/54/12/1071925412.db2.gz YHOTVKPFABQSKN-UHFFFAOYSA-N -1 0 402.395 -1.178 20 0 HAADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(=O)NC[C@H]3C(=O)OC)cc2)[n-]1 ZINC000468641891 1071928548 /nfs/dbraw/zinc/92/85/48/1071928548.db2.gz NXPFMUDSIGKTDR-AWEZNQCLSA-N -1 0 416.390 -1.005 20 0 HAADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(=O)NC[C@@H]3C(=O)OC)cc2)[n-]1 ZINC000468641892 1071928623 /nfs/dbraw/zinc/92/86/23/1071928623.db2.gz NXPFMUDSIGKTDR-CQSZACIVSA-N -1 0 416.390 -1.005 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000469286227 1071935349 /nfs/dbraw/zinc/93/53/49/1071935349.db2.gz PMXPKVAXFSHQJF-UHFFFAOYSA-N -1 0 420.513 -1.311 20 0 HAADRM O=c1nc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[n-]o1 ZINC000470252949 1071943157 /nfs/dbraw/zinc/94/31/57/1071943157.db2.gz YNIUWLHHENCVLZ-UHFFFAOYSA-N -1 0 418.453 -1.095 20 0 HAADRM COc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1[C@]1(C)NC(=O)NC1=O ZINC000470256115 1071943407 /nfs/dbraw/zinc/94/34/07/1071943407.db2.gz SGKFVEFJPIEHHW-HNNXBMFYSA-N -1 0 411.396 -1.053 20 0 HAADRM COc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000470256116 1071943254 /nfs/dbraw/zinc/94/32/54/1071943254.db2.gz SGKFVEFJPIEHHW-OAHLLOKOSA-N -1 0 411.396 -1.053 20 0 HAADRM CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000473718046 1071050812 /nfs/dbraw/zinc/05/08/12/1071050812.db2.gz ZBCCEXNABCLEBN-AAEUAGOBSA-N -1 0 402.363 -1.050 20 0 HAADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000473718053 1071050116 /nfs/dbraw/zinc/05/01/16/1071050116.db2.gz ZBCCEXNABCLEBN-DGCLKSJQSA-N -1 0 402.363 -1.050 20 0 HAADRM CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000473718055 1071050750 /nfs/dbraw/zinc/05/07/50/1071050750.db2.gz ZBCCEXNABCLEBN-WCQYABFASA-N -1 0 402.363 -1.050 20 0 HAADRM CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1=O ZINC000473718057 1071050827 /nfs/dbraw/zinc/05/08/27/1071050827.db2.gz ZBCCEXNABCLEBN-YPMHNXCESA-N -1 0 402.363 -1.050 20 0 HAADRM Cc1cc(NC(=O)CN2CCN(C(=O)N=c3ncn(CC(=O)N(C)C)[n-]3)CC2)no1 ZINC000475838503 1071204092 /nfs/dbraw/zinc/20/40/92/1071204092.db2.gz XPUDKLSHDUPJJT-UHFFFAOYSA-N -1 0 419.446 -1.705 20 0 HAADRM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000478794411 1071288125 /nfs/dbraw/zinc/28/81/25/1071288125.db2.gz KMFUQJJLYVWATE-UHFFFAOYSA-N -1 0 408.440 -1.007 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1=O ZINC000478956637 1071291288 /nfs/dbraw/zinc/29/12/88/1071291288.db2.gz GYWGMNHDBLTENH-AAEUAGOBSA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1=O ZINC000478956647 1071291369 /nfs/dbraw/zinc/29/13/69/1071291369.db2.gz GYWGMNHDBLTENH-DGCLKSJQSA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1=O ZINC000478956652 1071291348 /nfs/dbraw/zinc/29/13/48/1071291348.db2.gz GYWGMNHDBLTENH-WCQYABFASA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1=O ZINC000478956655 1071291436 /nfs/dbraw/zinc/29/14/36/1071291436.db2.gz GYWGMNHDBLTENH-YPMHNXCESA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1=O ZINC000478988524 1071291390 /nfs/dbraw/zinc/29/13/90/1071291390.db2.gz JQZOLNATOYKHDR-GXTWGEPZSA-N -1 0 419.438 -1.135 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1=O ZINC000478988529 1071291414 /nfs/dbraw/zinc/29/14/14/1071291414.db2.gz JQZOLNATOYKHDR-JSGCOSHPSA-N -1 0 419.438 -1.135 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1=O ZINC000478988531 1071291425 /nfs/dbraw/zinc/29/14/25/1071291425.db2.gz JQZOLNATOYKHDR-OCCSQVGLSA-N -1 0 419.438 -1.135 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)C1=O ZINC000478988533 1071291357 /nfs/dbraw/zinc/29/13/57/1071291357.db2.gz JQZOLNATOYKHDR-TZMCWYRMSA-N -1 0 419.438 -1.135 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1=O ZINC000478991132 1071291545 /nfs/dbraw/zinc/29/15/45/1071291545.db2.gz SDNFXXHWEDYDMZ-GWCFXTLKSA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1=O ZINC000478991134 1071291446 /nfs/dbraw/zinc/29/14/46/1071291446.db2.gz SDNFXXHWEDYDMZ-GXFFZTMASA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1=O ZINC000478991136 1071291328 /nfs/dbraw/zinc/29/13/28/1071291328.db2.gz SDNFXXHWEDYDMZ-MFKMUULPSA-N -1 0 401.445 -1.475 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1=O ZINC000478991139 1071291378 /nfs/dbraw/zinc/29/13/78/1071291378.db2.gz SDNFXXHWEDYDMZ-ZWNOBZJWSA-N -1 0 401.445 -1.475 20 0 HAADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000478991169 1071291481 /nfs/dbraw/zinc/29/14/81/1071291481.db2.gz SGUVMVBUXZDLCW-BXUZGUMPSA-N -1 0 415.472 -1.167 20 0 HAADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000478991171 1071292260 /nfs/dbraw/zinc/29/22/60/1071292260.db2.gz SGUVMVBUXZDLCW-FZMZJTMJSA-N -1 0 415.472 -1.167 20 0 HAADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000478991173 1071292031 /nfs/dbraw/zinc/29/20/31/1071292031.db2.gz SGUVMVBUXZDLCW-RISCZKNCSA-N -1 0 415.472 -1.167 20 0 HAADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1C ZINC000478991175 1071292297 /nfs/dbraw/zinc/29/22/97/1071292297.db2.gz SGUVMVBUXZDLCW-SMDDNHRTSA-N -1 0 415.472 -1.167 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1=O ZINC000478996777 1071292090 /nfs/dbraw/zinc/29/20/90/1071292090.db2.gz YLLJMQMHKHJGPP-CMPLNLGQSA-N -1 0 420.426 -1.740 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1=O ZINC000478996790 1071292225 /nfs/dbraw/zinc/29/22/25/1071292225.db2.gz YLLJMQMHKHJGPP-JQWIXIFHSA-N -1 0 420.426 -1.740 20 0 HAADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1=O ZINC000478996792 1071291998 /nfs/dbraw/zinc/29/19/98/1071291998.db2.gz YLLJMQMHKHJGPP-PWSUYJOCSA-N -1 0 420.426 -1.740 20 0 HAADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1=O ZINC000478996793 1071292288 /nfs/dbraw/zinc/29/22/88/1071292288.db2.gz YLLJMQMHKHJGPP-ZYHUDNBSSA-N -1 0 420.426 -1.740 20 0 HAADRM NS(=O)(=O)CCN1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000479903125 1071305610 /nfs/dbraw/zinc/30/56/10/1071305610.db2.gz QNNHTNZPIHWWKC-UHFFFAOYSA-N -1 0 424.277 -1.856 20 0 HAADRM Cn1nncc1S(=O)(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000480331536 1071310455 /nfs/dbraw/zinc/31/04/55/1071310455.db2.gz HGHFVNMPJOGDIF-UHFFFAOYSA-N -1 0 406.412 -1.046 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1 ZINC000481862182 1071330174 /nfs/dbraw/zinc/33/01/74/1071330174.db2.gz AOKODVRJHIZIOK-UHFFFAOYSA-N -1 0 403.442 -1.470 20 0 HAADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000484993545 1072086668 /nfs/dbraw/zinc/08/66/68/1072086668.db2.gz HNZWWOLTIMBVOD-BBATYDOGSA-N -1 0 408.411 -1.005 20 0 HAADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000485302136 1071346789 /nfs/dbraw/zinc/34/67/89/1071346789.db2.gz VLLMFSVOUIJBJU-MRVPVSSYSA-N -1 0 413.412 -1.366 20 0 HAADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000485302137 1071346924 /nfs/dbraw/zinc/34/69/24/1071346924.db2.gz VLLMFSVOUIJBJU-QMMMGPOBSA-N -1 0 413.412 -1.366 20 0 HAADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000485319417 1071346814 /nfs/dbraw/zinc/34/68/14/1071346814.db2.gz NPXDOJUKFMIGFO-JTQLQIEISA-N -1 0 400.479 -2.280 20 0 HAADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000485319422 1071346852 /nfs/dbraw/zinc/34/68/52/1071346852.db2.gz NPXDOJUKFMIGFO-SNVBAGLBSA-N -1 0 400.479 -2.280 20 0 HAADRM CS(=O)(=O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000485732843 1071349888 /nfs/dbraw/zinc/34/98/88/1071349888.db2.gz QWPCSWHIAXGFJC-SECBINFHSA-N -1 0 409.442 -1.204 20 0 HAADRM CS(=O)(=O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000485732859 1071350030 /nfs/dbraw/zinc/35/00/30/1071350030.db2.gz QWPCSWHIAXGFJC-VIFPVBQESA-N -1 0 409.442 -1.204 20 0 HAADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)s[n-]1 ZINC000490073633 1071367638 /nfs/dbraw/zinc/36/76/38/1071367638.db2.gz QUTKKNMBRLGQTQ-UHFFFAOYSA-N -1 0 407.460 -1.447 20 0 HAADRM CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000493871977 1071470660 /nfs/dbraw/zinc/47/06/60/1071470660.db2.gz JPPLQZHTOUWHGE-UHFFFAOYSA-N -1 0 405.454 -1.329 20 0 HAADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)s[n-]1 ZINC000494418564 1071475968 /nfs/dbraw/zinc/47/59/68/1071475968.db2.gz OMWLLJDLBUBIPL-UHFFFAOYSA-N -1 0 404.518 -1.371 20 0 HAADRM COC(=O)CCN1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000501164596 1070972513 /nfs/dbraw/zinc/97/25/13/1070972513.db2.gz OQKOUFSPWRJBEG-JTQLQIEISA-N -1 0 411.396 -1.122 20 0 HAADRM COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000501164597 1070973334 /nfs/dbraw/zinc/97/33/34/1070973334.db2.gz OQKOUFSPWRJBEG-SNVBAGLBSA-N -1 0 411.396 -1.122 20 0 HAADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000504688886 1070996082 /nfs/dbraw/zinc/99/60/82/1070996082.db2.gz AMGGRLZCEMCJOU-CYBMUJFWSA-N -1 0 416.394 -1.221 20 0 HAADRM O=C(NCc1n[nH]c(=O)[n-]1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000504688887 1070996210 /nfs/dbraw/zinc/99/62/10/1070996210.db2.gz AMGGRLZCEMCJOU-ZDUSSCGKSA-N -1 0 416.394 -1.221 20 0 HAADRM COC(=O)c1cnc(S(=O)(=O)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[n-]1 ZINC000506934281 1071053564 /nfs/dbraw/zinc/05/35/64/1071053564.db2.gz ZBLPNMSLVIJHNF-UHFFFAOYSA-N -1 0 410.412 -1.193 20 0 HAADRM CNS(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)ccc1[O-] ZINC000509056916 1071605772 /nfs/dbraw/zinc/60/57/72/1071605772.db2.gz LLLFXVZGZNMJNW-UHFFFAOYSA-N -1 0 403.442 -1.049 20 0 HAADRM CNS(=O)(=O)c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[O-] ZINC000509079162 1071606436 /nfs/dbraw/zinc/60/64/36/1071606436.db2.gz JIMROVIBFWFKQU-UHFFFAOYSA-N -1 0 422.423 -1.314 20 0 HAADRM CC(=O)NCCN(C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)[C@@H](C)C(=O)[O-] ZINC000510295621 1070811234 /nfs/dbraw/zinc/81/12/34/1070811234.db2.gz JGECESLFXNCYTD-JTQLQIEISA-N -1 0 405.411 -1.008 20 0 HAADRM CC(=O)NCCN(C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)[C@H](C)C(=O)[O-] ZINC000510295631 1070810928 /nfs/dbraw/zinc/81/09/28/1070810928.db2.gz JGECESLFXNCYTD-SNVBAGLBSA-N -1 0 405.411 -1.008 20 0 HAADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000510299772 1070811972 /nfs/dbraw/zinc/81/19/72/1070811972.db2.gz RXUNWVHNMSNTKT-JTQLQIEISA-N -1 0 404.445 -1.009 20 0 HAADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000510299773 1070812141 /nfs/dbraw/zinc/81/21/41/1070812141.db2.gz RXUNWVHNMSNTKT-SNVBAGLBSA-N -1 0 404.445 -1.009 20 0 HAADRM CC(=O)NCCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)C(=O)[O-] ZINC000510299944 1070811708 /nfs/dbraw/zinc/81/17/08/1070811708.db2.gz SSPAIPJQFGQIKM-JTQLQIEISA-N -1 0 408.415 -1.738 20 0 HAADRM CC(=O)NCCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)C(=O)[O-] ZINC000510299947 1070811838 /nfs/dbraw/zinc/81/18/38/1070811838.db2.gz SSPAIPJQFGQIKM-SNVBAGLBSA-N -1 0 408.415 -1.738 20 0 HAADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H](C)C(=O)[O-] ZINC000510313652 1070816391 /nfs/dbraw/zinc/81/63/91/1070816391.db2.gz OQURVPSFFIVOGI-CYZMBNFOSA-N -1 0 403.457 -1.540 20 0 HAADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H](C)C(=O)[O-] ZINC000510313653 1070816127 /nfs/dbraw/zinc/81/61/27/1070816127.db2.gz OQURVPSFFIVOGI-RAIGVLPGSA-N -1 0 403.457 -1.540 20 0 HAADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H](C)C(=O)[O-] ZINC000510313654 1070815898 /nfs/dbraw/zinc/81/58/98/1070815898.db2.gz OQURVPSFFIVOGI-RTXFEEFZSA-N -1 0 403.457 -1.540 20 0 HAADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H](C)C(=O)[O-] ZINC000510313655 1070816181 /nfs/dbraw/zinc/81/61/81/1070816181.db2.gz OQURVPSFFIVOGI-UHTWSYAYSA-N -1 0 403.457 -1.540 20 0 HAADRM CC(=O)NCCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@@H](C)C(=O)[O-] ZINC000510314890 1070815960 /nfs/dbraw/zinc/81/59/60/1070815960.db2.gz XCAQLRAODQFCHB-JTQLQIEISA-N -1 0 403.461 -1.165 20 0 HAADRM CC(=O)NCCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@H](C)C(=O)[O-] ZINC000510314891 1070816360 /nfs/dbraw/zinc/81/63/60/1070816360.db2.gz XCAQLRAODQFCHB-SNVBAGLBSA-N -1 0 403.461 -1.165 20 0 HAADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510402664 1070831283 /nfs/dbraw/zinc/83/12/83/1070831283.db2.gz BNVPMUDAGTUZCQ-MRVPVSSYSA-N -1 0 419.469 -1.333 20 0 HAADRM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000510402666 1070831417 /nfs/dbraw/zinc/83/14/17/1070831417.db2.gz BNVPMUDAGTUZCQ-QMMMGPOBSA-N -1 0 419.469 -1.333 20 0 HAADRM Cc1nc(S(=O)(=O)NCC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cn1C ZINC000512269714 1070935438 /nfs/dbraw/zinc/93/54/38/1070935438.db2.gz YAZTZMOCINKXNW-UHFFFAOYSA-N -1 0 409.475 -1.131 20 0 HAADRM CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000513110883 1070961548 /nfs/dbraw/zinc/96/15/48/1070961548.db2.gz VFMIJEVEDWUUMK-MRVPVSSYSA-N -1 0 403.442 -1.004 20 0 HAADRM CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000513110884 1070961568 /nfs/dbraw/zinc/96/15/68/1070961568.db2.gz VFMIJEVEDWUUMK-QMMMGPOBSA-N -1 0 403.442 -1.004 20 0 HAADRM Cn1c2ncn(CC(=O)Nc3nnc([N-]S(C)(=O)=O)s3)c2c(=O)n(C)c1=O ZINC000515875465 1071016025 /nfs/dbraw/zinc/01/60/25/1071016025.db2.gz HCAQXTWKJYNDSR-UHFFFAOYSA-N -1 0 414.429 -1.705 20 0 HAADRM CN(C)C(=O)Cn1cnc(=NC(=O)C(=O)NCCNc2ccc3ccccc3n2)[n-]1 ZINC000516336645 1071018553 /nfs/dbraw/zinc/01/85/53/1071018553.db2.gz WAIJJJJVWDTLFN-UHFFFAOYSA-N -1 0 410.438 -1.075 20 0 HAADRM CN1C(=O)CN(C(=O)c2cccc(C(=O)N3CC(=O)N(C)C(=O)C3)c2[O-])CC1=O ZINC000516894238 1071022790 /nfs/dbraw/zinc/02/27/90/1071022790.db2.gz VGXOIGNUEXBVLP-UHFFFAOYSA-N -1 0 402.363 -1.726 20 0 HAADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(S(N)(=O)=O)CC3)cc2)[n-]1 ZINC000518398681 1071035019 /nfs/dbraw/zinc/03/50/19/1071035019.db2.gz BXKRGYLJYJBQLC-UHFFFAOYSA-N -1 0 423.451 -1.158 20 0 HAADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000518926654 1071042448 /nfs/dbraw/zinc/04/24/48/1071042448.db2.gz ITRVFLICXIVVAL-UHFFFAOYSA-N -1 0 419.485 -1.022 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000519677754 1071060833 /nfs/dbraw/zinc/06/08/33/1071060833.db2.gz LVTISMNWTMFXLX-GFCCVEGCSA-N -1 0 408.454 -1.260 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530809712 1071192586 /nfs/dbraw/zinc/19/25/86/1071192586.db2.gz XQXUORQHZCCYAW-NEPJUHHUSA-N -1 0 423.451 -1.028 20 0 HAADRM Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530809713 1071192713 /nfs/dbraw/zinc/19/27/13/1071192713.db2.gz XQXUORQHZCCYAW-NWDGAFQWSA-N -1 0 423.451 -1.028 20 0 HAADRM Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530809714 1071192661 /nfs/dbraw/zinc/19/26/61/1071192661.db2.gz XQXUORQHZCCYAW-RYUDHWBXSA-N -1 0 423.451 -1.028 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000530809715 1071193559 /nfs/dbraw/zinc/19/35/59/1071193559.db2.gz XQXUORQHZCCYAW-VXGBXAGGSA-N -1 0 423.451 -1.028 20 0 HAADRM CS(=O)(=O)N[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000531747655 1071196797 /nfs/dbraw/zinc/19/67/97/1071196797.db2.gz ZZDVMAGZPDPBNG-LLVKDONJSA-N -1 0 405.454 -1.187 20 0 HAADRM CS(=O)(=O)N[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000531747656 1071196942 /nfs/dbraw/zinc/19/69/42/1071196942.db2.gz ZZDVMAGZPDPBNG-NSHDSACASA-N -1 0 405.454 -1.187 20 0 HAADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000532005740 1071198405 /nfs/dbraw/zinc/19/84/05/1071198405.db2.gz ZSGCIWYRILQREI-UHFFFAOYSA-N -1 0 405.454 -1.185 20 0 HAADRM CN(CCCNC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O)S(C)(=O)=O ZINC000532405006 1071203268 /nfs/dbraw/zinc/20/32/68/1071203268.db2.gz RBLIUEQNMSFGKZ-UHFFFAOYSA-N -1 0 404.470 -1.267 20 0 HAADRM CCc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000532814692 1071210461 /nfs/dbraw/zinc/21/04/61/1071210461.db2.gz XJGBGJMNVPPLRF-UHFFFAOYSA-N -1 0 407.412 -1.032 20 0 HAADRM NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000537048474 1071224890 /nfs/dbraw/zinc/22/48/90/1071224890.db2.gz JLOHMOXPFMYEGW-UHFFFAOYSA-N -1 0 402.458 -1.336 20 0 HAADRM CS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000538467712 1071265980 /nfs/dbraw/zinc/26/59/80/1071265980.db2.gz MDKBORMXGZQKAM-UHFFFAOYSA-N -1 0 405.454 -1.233 20 0 HAADRM CNC(=O)Cn1cnc(=NC(=O)C(=O)NCCN=c2[nH]c3ccccc3s2)[n-]1 ZINC000541155899 1071451195 /nfs/dbraw/zinc/45/11/95/1071451195.db2.gz SGRYVLCXSOTWNP-UHFFFAOYSA-N -1 0 402.440 -1.356 20 0 HAADRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000541415168 1071453443 /nfs/dbraw/zinc/45/34/43/1071453443.db2.gz CDPQMONWXJASHW-UHFFFAOYSA-N -1 0 408.444 -1.260 20 0 HAADRM CN(C)C(=O)Cn1cnc(=NC(=O)C(=O)NCCN=c2[nH]c3ccccc3s2)[n-]1 ZINC000542083091 1071459168 /nfs/dbraw/zinc/45/91/68/1071459168.db2.gz LMMJKOIXBRJGJH-UHFFFAOYSA-N -1 0 416.467 -1.013 20 0 HAADRM Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N=c3ncn(C(C)(C)C)[n-]3)CC2)no1 ZINC000544168032 1071915773 /nfs/dbraw/zinc/91/57/73/1071915773.db2.gz JQTNKKRUMFXVNP-UHFFFAOYSA-N -1 0 418.458 -1.105 20 0 HAADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000544936478 1071922701 /nfs/dbraw/zinc/92/27/01/1071922701.db2.gz DPMCGBUQIFPLGF-UHFFFAOYSA-N -1 0 406.442 -1.989 20 0 HAADRM NS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)CC1 ZINC000544939228 1071922567 /nfs/dbraw/zinc/92/25/67/1071922567.db2.gz VWSJMXRWUSZOLE-UHFFFAOYSA-N -1 0 407.426 -1.334 20 0 HAADRM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000545550637 1071931375 /nfs/dbraw/zinc/93/13/75/1071931375.db2.gz ZPZLHTMDHXSQAF-LLVKDONJSA-N -1 0 405.454 -1.057 20 0 HAADRM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000545550638 1071931264 /nfs/dbraw/zinc/93/12/64/1071931264.db2.gz ZPZLHTMDHXSQAF-NSHDSACASA-N -1 0 405.454 -1.057 20 0 HAADRM COc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc(C(=O)[O-])c1OC ZINC000546968724 1071944304 /nfs/dbraw/zinc/94/43/04/1071944304.db2.gz PIQBUFJEMFATQV-UHFFFAOYSA-N -1 0 409.442 -1.088 20 0 HAADRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000546973116 1071455265 /nfs/dbraw/zinc/45/52/65/1071455265.db2.gz CCMMAKJSCAQLNK-UHFFFAOYSA-N -1 0 407.470 -1.006 20 0 HAADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000547544307 1071948339 /nfs/dbraw/zinc/94/83/39/1071948339.db2.gz NKUFPKYVMGJSEO-UHFFFAOYSA-N -1 0 405.454 -1.050 20 0 HAADRM Cn1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000547545263 1071948116 /nfs/dbraw/zinc/94/81/16/1071948116.db2.gz AFHMBRMSRUPSSM-UHFFFAOYSA-N -1 0 400.335 -1.204 20 0 HAADRM O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000547545922 1071948189 /nfs/dbraw/zinc/94/81/89/1071948189.db2.gz WRGTWAGWIYXEAL-ZDUSSCGKSA-N -1 0 408.454 -1.179 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547548687 1071949040 /nfs/dbraw/zinc/94/90/40/1071949040.db2.gz NZEZABRRBRBMGI-NSHDSACASA-N -1 0 412.380 -1.034 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000547550808 1071949053 /nfs/dbraw/zinc/94/90/53/1071949053.db2.gz PVPHEAQUBGSZEN-CYBMUJFWSA-N -1 0 407.470 -1.201 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])c(=O)n(C)c1=O ZINC000547552345 1071948952 /nfs/dbraw/zinc/94/89/52/1071948952.db2.gz HPUMMIUMXOQKGZ-JTQLQIEISA-N -1 0 411.392 -1.213 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])c(=O)n(C)c1=O ZINC000547552346 1071949018 /nfs/dbraw/zinc/94/90/18/1071949018.db2.gz HPUMMIUMXOQKGZ-SNVBAGLBSA-N -1 0 411.392 -1.213 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000547575554 1071948862 /nfs/dbraw/zinc/94/88/62/1071948862.db2.gz NSOAFNQEOBNDEV-JTQLQIEISA-N -1 0 405.454 -1.194 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000547575559 1071948990 /nfs/dbraw/zinc/94/89/90/1071948990.db2.gz NSOAFNQEOBNDEV-SNVBAGLBSA-N -1 0 405.454 -1.194 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000547577018 1071948928 /nfs/dbraw/zinc/94/89/28/1071948928.db2.gz ZVEUODVHPDISNY-JTQLQIEISA-N -1 0 405.454 -1.194 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000547577020 1071948753 /nfs/dbraw/zinc/94/87/53/1071948753.db2.gz ZVEUODVHPDISNY-SNVBAGLBSA-N -1 0 405.454 -1.194 20 0 HAADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])cn1 ZINC000547577923 1071948736 /nfs/dbraw/zinc/94/87/36/1071948736.db2.gz UFQZKEGTXXZEBV-JTQLQIEISA-N -1 0 422.423 -1.011 20 0 HAADRM Cn1cc(C[C@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])cn1 ZINC000547577924 1071949594 /nfs/dbraw/zinc/94/95/94/1071949594.db2.gz UFQZKEGTXXZEBV-SNVBAGLBSA-N -1 0 422.423 -1.011 20 0 HAADRM CCOCCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547579793 1071949604 /nfs/dbraw/zinc/94/96/04/1071949604.db2.gz FQWUBVZIKPDBIW-GFCCVEGCSA-N -1 0 401.507 -1.132 20 0 HAADRM CCOCCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000547579794 1071949556 /nfs/dbraw/zinc/94/95/56/1071949556.db2.gz FQWUBVZIKPDBIW-LBPRGKRZSA-N -1 0 401.507 -1.132 20 0 HAADRM O=C([O-])CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000547581101 1071949569 /nfs/dbraw/zinc/94/95/69/1071949569.db2.gz IPMBEWUKLUEFIR-UHFFFAOYSA-N -1 0 408.454 -1.225 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000547583570 1071949579 /nfs/dbraw/zinc/94/95/79/1071949579.db2.gz ZUXAEBYRMXIHMI-IJJSKAQYSA-N -1 0 413.408 -1.042 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000547583571 1071949528 /nfs/dbraw/zinc/94/95/28/1071949528.db2.gz ZUXAEBYRMXIHMI-USXXWEHASA-N -1 0 413.408 -1.042 20 0 HAADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547593706 1071949621 /nfs/dbraw/zinc/94/96/21/1071949621.db2.gz ZKJBEZSCTTYTDE-LLVKDONJSA-N -1 0 401.426 -1.075 20 0 HAADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547593707 1071949587 /nfs/dbraw/zinc/94/95/87/1071949587.db2.gz ZKJBEZSCTTYTDE-NSHDSACASA-N -1 0 401.426 -1.075 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000547597562 1071949598 /nfs/dbraw/zinc/94/95/98/1071949598.db2.gz LZBUACZOTXPJPS-JTQLQIEISA-N -1 0 419.503 -2.618 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000547597563 1071949636 /nfs/dbraw/zinc/94/96/36/1071949636.db2.gz LZBUACZOTXPJPS-SNVBAGLBSA-N -1 0 419.503 -2.618 20 0 HAADRM NC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547597795 1071949613 /nfs/dbraw/zinc/94/96/13/1071949613.db2.gz SAUZLHZOWYXEFR-AAEUAGOBSA-N -1 0 419.481 -1.055 20 0 HAADRM NC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547597799 1071949632 /nfs/dbraw/zinc/94/96/32/1071949632.db2.gz SAUZLHZOWYXEFR-DGCLKSJQSA-N -1 0 419.481 -1.055 20 0 HAADRM NC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547597800 1071949625 /nfs/dbraw/zinc/94/96/25/1071949625.db2.gz SAUZLHZOWYXEFR-WCQYABFASA-N -1 0 419.481 -1.055 20 0 HAADRM NC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547597802 1071949618 /nfs/dbraw/zinc/94/96/18/1071949618.db2.gz SAUZLHZOWYXEFR-YPMHNXCESA-N -1 0 419.481 -1.055 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1 ZINC000547599474 1071949514 /nfs/dbraw/zinc/94/95/14/1071949514.db2.gz LPGZIGKAPPOBFB-BXKDBHETSA-N -1 0 405.454 -1.066 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1 ZINC000547599475 1071949635 /nfs/dbraw/zinc/94/96/35/1071949635.db2.gz LPGZIGKAPPOBFB-CABZTGNLSA-N -1 0 405.454 -1.066 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1 ZINC000547599476 1071949492 /nfs/dbraw/zinc/94/94/92/1071949492.db2.gz LPGZIGKAPPOBFB-JOYOIKCWSA-N -1 0 405.454 -1.066 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1 ZINC000547599477 1071949629 /nfs/dbraw/zinc/94/96/29/1071949629.db2.gz LPGZIGKAPPOBFB-SKDRFNHKSA-N -1 0 405.454 -1.066 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000547601323 1071950127 /nfs/dbraw/zinc/95/01/27/1071950127.db2.gz CPZFVGOIFLAZKL-NEPJUHHUSA-N -1 0 424.501 -2.184 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000547601324 1071950054 /nfs/dbraw/zinc/95/00/54/1071950054.db2.gz CPZFVGOIFLAZKL-NWDGAFQWSA-N -1 0 424.501 -2.184 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000547601325 1071950163 /nfs/dbraw/zinc/95/01/63/1071950163.db2.gz CPZFVGOIFLAZKL-RYUDHWBXSA-N -1 0 424.501 -2.184 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000547601326 1071950184 /nfs/dbraw/zinc/95/01/84/1071950184.db2.gz CPZFVGOIFLAZKL-VXGBXAGGSA-N -1 0 424.501 -2.184 20 0 HAADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000547605019 1071950194 /nfs/dbraw/zinc/95/01/94/1071950194.db2.gz KPOHGBQBLAPKGG-LLVKDONJSA-N -1 0 401.426 -1.251 20 0 HAADRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000547605020 1071950097 /nfs/dbraw/zinc/95/00/97/1071950097.db2.gz KPOHGBQBLAPKGG-NSHDSACASA-N -1 0 401.426 -1.251 20 0 HAADRM Cn1c2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])cc2n(C)c1=O ZINC000547605038 1071950190 /nfs/dbraw/zinc/95/01/90/1071950190.db2.gz MNKWBLHHOJPDAW-GFCCVEGCSA-N -1 0 403.438 -1.251 20 0 HAADRM Cn1c2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc2n(C)c1=O ZINC000547605039 1071950091 /nfs/dbraw/zinc/95/00/91/1071950091.db2.gz MNKWBLHHOJPDAW-LBPRGKRZSA-N -1 0 403.438 -1.251 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000547605481 1071950178 /nfs/dbraw/zinc/95/01/78/1071950178.db2.gz FYUZPODTVLRCKU-LLVKDONJSA-N -1 0 412.467 -1.533 20 0 HAADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC000547605482 1071950133 /nfs/dbraw/zinc/95/01/33/1071950133.db2.gz FYUZPODTVLRCKU-NSHDSACASA-N -1 0 412.467 -1.533 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])CC1 ZINC000547606883 1071950175 /nfs/dbraw/zinc/95/01/75/1071950175.db2.gz PCPTZAGQDKDBCG-SECBINFHSA-N -1 0 405.476 -3.008 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])CC1 ZINC000547606884 1071950084 /nfs/dbraw/zinc/95/00/84/1071950084.db2.gz PCPTZAGQDKDBCG-VIFPVBQESA-N -1 0 405.476 -3.008 20 0 HAADRM Cc1nnnn1-c1cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)[O-] ZINC000547613504 1071950111 /nfs/dbraw/zinc/95/01/11/1071950111.db2.gz DCNVAJGSRLLSGS-UHFFFAOYSA-N -1 0 421.395 -1.133 20 0 HAADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1 ZINC000547870425 1070808413 /nfs/dbraw/zinc/80/84/13/1070808413.db2.gz AIMAHCXZCZBMIY-UHFFFAOYSA-N -1 0 413.499 -1.291 20 0 HAADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(OC)c1 ZINC000547870642 1070808541 /nfs/dbraw/zinc/80/85/41/1070808541.db2.gz HCLKQPAJSWCQLQ-UHFFFAOYSA-N -1 0 409.442 -1.064 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H](Cc2c[nH]c3ncccc23)C(=O)[O-])c(=O)n(C)c1=O ZINC000547870950 1070808798 /nfs/dbraw/zinc/80/87/98/1070808798.db2.gz QBOBEGKTKVXHKW-LLVKDONJSA-N -1 0 407.408 -1.066 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ncccc23)C(=O)[O-])c(=O)n(C)c1=O ZINC000547870951 1070808486 /nfs/dbraw/zinc/80/84/86/1070808486.db2.gz QBOBEGKTKVXHKW-NSHDSACASA-N -1 0 407.408 -1.066 20 0 HAADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000547871355 1070808675 /nfs/dbraw/zinc/80/86/75/1070808675.db2.gz VZACAYFELSSYRG-UHFFFAOYSA-N -1 0 405.454 -1.050 20 0 HAADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000547871752 1070808739 /nfs/dbraw/zinc/80/87/39/1070808739.db2.gz GMFRTHJVUKCMJI-UHFFFAOYSA-N -1 0 421.453 -1.813 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000547872405 1070808708 /nfs/dbraw/zinc/80/87/08/1070808708.db2.gz BLSTZHSKKZCYCT-SSDOTTSWSA-N -1 0 400.335 -1.076 20 0 HAADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000547878751 1070809414 /nfs/dbraw/zinc/80/94/14/1070809414.db2.gz BCGUEIPTMGNFDZ-MFKMUULPSA-N -1 0 408.454 -1.180 20 0 HAADRM Cc1cnn(C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])c1 ZINC000547882877 1070809015 /nfs/dbraw/zinc/80/90/15/1070809015.db2.gz XOOXXKZYMYBZTE-LLVKDONJSA-N -1 0 408.396 -1.029 20 0 HAADRM Cc1cnn(C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])c1 ZINC000547882885 1070808985 /nfs/dbraw/zinc/80/89/85/1070808985.db2.gz XOOXXKZYMYBZTE-NSHDSACASA-N -1 0 408.396 -1.029 20 0 HAADRM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000547904621 1070809137 /nfs/dbraw/zinc/80/91/37/1070809137.db2.gz YQZVUKOMRIOZRE-BXUZGUMPSA-N -1 0 420.465 -1.084 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000547910532 1070809572 /nfs/dbraw/zinc/80/95/72/1070809572.db2.gz PVPHEAQUBGSZEN-ZDUSSCGKSA-N -1 0 407.470 -1.201 20 0 HAADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547929962 1070810460 /nfs/dbraw/zinc/81/04/60/1070810460.db2.gz INTNLLQLWOHDTI-DAOPMYJZSA-N -1 0 410.495 -1.188 20 0 HAADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547929965 1070810141 /nfs/dbraw/zinc/81/01/41/1070810141.db2.gz INTNLLQLWOHDTI-MYODQAERSA-N -1 0 410.495 -1.188 20 0 HAADRM O=C([O-])[C@H]1C[S@](=O)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547929966 1070809601 /nfs/dbraw/zinc/80/96/01/1070809601.db2.gz INTNLLQLWOHDTI-SFDCACGMSA-N -1 0 410.495 -1.188 20 0 HAADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547929967 1070810494 /nfs/dbraw/zinc/81/04/94/1070810494.db2.gz INTNLLQLWOHDTI-SPSFWMDKSA-N -1 0 410.495 -1.188 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000547930079 1070811261 /nfs/dbraw/zinc/81/12/61/1070811261.db2.gz JPJVPWMWZIRGBK-LLVKDONJSA-N -1 0 412.467 -1.533 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000547930081 1070811203 /nfs/dbraw/zinc/81/12/03/1070811203.db2.gz JPJVPWMWZIRGBK-NSHDSACASA-N -1 0 412.467 -1.533 20 0 HAADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000547930254 1070810176 /nfs/dbraw/zinc/81/01/76/1070810176.db2.gz OCKUDQFTCONDDC-LLVKDONJSA-N -1 0 411.502 -1.347 20 0 HAADRM CCS(=O)(=O)NCCS(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000547930260 1070810361 /nfs/dbraw/zinc/81/03/61/1070810361.db2.gz OCKUDQFTCONDDC-NSHDSACASA-N -1 0 411.502 -1.347 20 0 HAADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])cc2C1=O ZINC000547930660 1070809867 /nfs/dbraw/zinc/80/98/67/1070809867.db2.gz AGDBJVIVDQTZQY-LLVKDONJSA-N -1 0 402.406 -1.215 20 0 HAADRM CN1C(=O)c2ccc(S(=O)(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc2C1=O ZINC000547930661 1070810784 /nfs/dbraw/zinc/81/07/84/1070810784.db2.gz AGDBJVIVDQTZQY-NSHDSACASA-N -1 0 402.406 -1.215 20 0 HAADRM O=C([O-])Cn1cc(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)nn1 ZINC000547941465 1070811435 /nfs/dbraw/zinc/81/14/35/1070811435.db2.gz QOKKIOYMRMQUIV-UHFFFAOYSA-N -1 0 403.442 -1.239 20 0 HAADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000548196407 1070835861 /nfs/dbraw/zinc/83/58/61/1070835861.db2.gz IPCAVMOSNWJGLL-UHFFFAOYSA-N -1 0 405.454 -1.050 20 0 HAADRM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548209819 1070836771 /nfs/dbraw/zinc/83/67/71/1070836771.db2.gz XSSKRGGKXRTLFK-GFCCVEGCSA-N -1 0 409.490 -1.426 20 0 HAADRM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548209824 1070836414 /nfs/dbraw/zinc/83/64/14/1070836414.db2.gz XSSKRGGKXRTLFK-LBPRGKRZSA-N -1 0 409.490 -1.426 20 0 HAADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000548213724 1070836738 /nfs/dbraw/zinc/83/67/38/1070836738.db2.gz HHXOKWHZLOCEKT-GFCCVEGCSA-N -1 0 419.481 -1.183 20 0 HAADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000548213725 1070837029 /nfs/dbraw/zinc/83/70/29/1070837029.db2.gz HHXOKWHZLOCEKT-LBPRGKRZSA-N -1 0 419.481 -1.183 20 0 HAADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCN3C[C@H](C(=O)[O-])CC3=O)cnc21 ZINC000548213978 1070836509 /nfs/dbraw/zinc/83/65/09/1070836509.db2.gz MYVDVDBPGQEPDZ-MRVPVSSYSA-N -1 0 411.396 -1.755 20 0 HAADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCN3C[C@@H](C(=O)[O-])CC3=O)cnc21 ZINC000548213979 1070836613 /nfs/dbraw/zinc/83/66/13/1070836613.db2.gz MYVDVDBPGQEPDZ-QMMMGPOBSA-N -1 0 411.396 -1.755 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000548231466 1070836637 /nfs/dbraw/zinc/83/66/37/1070836637.db2.gz ZUXAEBYRMXIHMI-OEODGHQXSA-N -1 0 413.408 -1.042 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000548231467 1070836479 /nfs/dbraw/zinc/83/64/79/1070836479.db2.gz ZUXAEBYRMXIHMI-OGOZKOCGSA-N -1 0 413.408 -1.042 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000548244632 1070837698 /nfs/dbraw/zinc/83/76/98/1070837698.db2.gz PNDDKYNYNPEVPI-BXKDBHETSA-N -1 0 405.454 -1.066 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000548244633 1070837796 /nfs/dbraw/zinc/83/77/96/1070837796.db2.gz PNDDKYNYNPEVPI-CABZTGNLSA-N -1 0 405.454 -1.066 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000548244634 1070837322 /nfs/dbraw/zinc/83/73/22/1070837322.db2.gz PNDDKYNYNPEVPI-JOYOIKCWSA-N -1 0 405.454 -1.066 20 0 HAADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000548244635 1070837637 /nfs/dbraw/zinc/83/76/37/1070837637.db2.gz PNDDKYNYNPEVPI-SKDRFNHKSA-N -1 0 405.454 -1.066 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000548248664 1070837480 /nfs/dbraw/zinc/83/74/80/1070837480.db2.gz JIRDKRMYYXYWNU-GHMZBOCLSA-N -1 0 400.413 -1.248 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000548248665 1070837670 /nfs/dbraw/zinc/83/76/70/1070837670.db2.gz JIRDKRMYYXYWNU-MNOVXSKESA-N -1 0 400.413 -1.248 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000548248666 1070837234 /nfs/dbraw/zinc/83/72/34/1070837234.db2.gz JIRDKRMYYXYWNU-QWRGUYRKSA-N -1 0 400.413 -1.248 20 0 HAADRM COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)cn1 ZINC000548248667 1070837162 /nfs/dbraw/zinc/83/71/62/1070837162.db2.gz JIRDKRMYYXYWNU-WDEREUQCSA-N -1 0 400.413 -1.248 20 0 HAADRM O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000548521959 1070846346 /nfs/dbraw/zinc/84/63/46/1070846346.db2.gz XTKIJDWTMRBZIJ-CYBMUJFWSA-N -1 0 408.454 -1.179 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])CC1 ZINC000548528868 1070846266 /nfs/dbraw/zinc/84/62/66/1070846266.db2.gz CJZNKMJFJBIGIC-GFCCVEGCSA-N -1 0 406.486 -1.264 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])CC1 ZINC000548528876 1070846318 /nfs/dbraw/zinc/84/63/18/1070846318.db2.gz CJZNKMJFJBIGIC-LBPRGKRZSA-N -1 0 406.486 -1.264 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)CC1 ZINC000548528969 1070846434 /nfs/dbraw/zinc/84/64/34/1070846434.db2.gz DDNHKYLRZRRUIB-UHFFFAOYSA-N -1 0 412.515 -1.276 20 0 HAADRM O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000548531474 1070846375 /nfs/dbraw/zinc/84/63/75/1070846375.db2.gz XTKIJDWTMRBZIJ-ZDUSSCGKSA-N -1 0 408.454 -1.179 20 0 HAADRM Cn1cc(C[C@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])cn1 ZINC000548542094 1070846765 /nfs/dbraw/zinc/84/67/65/1070846765.db2.gz LTXIEYSHBLMVOV-GFCCVEGCSA-N -1 0 409.490 -1.925 20 0 HAADRM Cn1cc(C[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])cn1 ZINC000548542095 1070847092 /nfs/dbraw/zinc/84/70/92/1070847092.db2.gz LTXIEYSHBLMVOV-LBPRGKRZSA-N -1 0 409.490 -1.925 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H](Cc2cccnc2)C(=O)[O-])CC1 ZINC000548545628 1070847067 /nfs/dbraw/zinc/84/70/67/1070847067.db2.gz QARTWOKSTMXLMM-CYBMUJFWSA-N -1 0 406.486 -1.264 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H](Cc2cccnc2)C(=O)[O-])CC1 ZINC000548545629 1070847398 /nfs/dbraw/zinc/84/73/98/1070847398.db2.gz QARTWOKSTMXLMM-ZDUSSCGKSA-N -1 0 406.486 -1.264 20 0 HAADRM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000548551150 1070846968 /nfs/dbraw/zinc/84/69/68/1070846968.db2.gz ZILGEKGZBHLHAD-JTQLQIEISA-N -1 0 415.490 -1.417 20 0 HAADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])n1 ZINC000548556379 1070846899 /nfs/dbraw/zinc/84/68/99/1070846899.db2.gz WEJJJTFEEGHZNA-GFCCVEGCSA-N -1 0 409.490 -1.635 20 0 HAADRM Cc1cc(C)n(C[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(=O)[O-])n1 ZINC000548556392 1070847041 /nfs/dbraw/zinc/84/70/41/1070847041.db2.gz WEJJJTFEEGHZNA-LBPRGKRZSA-N -1 0 409.490 -1.635 20 0 HAADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000548564691 1070848281 /nfs/dbraw/zinc/84/82/81/1070848281.db2.gz IMODBAIKINIRGW-HNNXBMFYSA-N -1 0 401.397 -1.183 20 0 HAADRM COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000548564693 1070847810 /nfs/dbraw/zinc/84/78/10/1070847810.db2.gz IMODBAIKINIRGW-OAHLLOKOSA-N -1 0 401.397 -1.183 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)[O-])ccc32)CC1 ZINC000548566257 1070848256 /nfs/dbraw/zinc/84/82/56/1070848256.db2.gz YCXFVLCHTUOQQT-UHFFFAOYSA-N -1 0 418.453 -1.035 20 0 HAADRM Cn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c(=O)n(C)c1=O ZINC000548572563 1070847943 /nfs/dbraw/zinc/84/79/43/1070847943.db2.gz OYCGMDOFQMDYNK-NXEZZACHSA-N -1 0 400.413 -2.220 20 0 HAADRM Cn1cc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c(=O)n(C)c1=O ZINC000548572564 1070847996 /nfs/dbraw/zinc/84/79/96/1070847996.db2.gz OYCGMDOFQMDYNK-UWVGGRQHSA-N -1 0 400.413 -2.220 20 0 HAADRM Cn1cc(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)[O-])CC3=O)C2)c(=O)n(C)c1=O ZINC000548572565 1070847919 /nfs/dbraw/zinc/84/79/19/1070847919.db2.gz OYCGMDOFQMDYNK-VHSXEESVSA-N -1 0 400.413 -2.220 20 0 HAADRM Cn1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)[O-])CC3=O)C2)c(=O)n(C)c1=O ZINC000548572566 1070848111 /nfs/dbraw/zinc/84/81/11/1070848111.db2.gz OYCGMDOFQMDYNK-ZJUUUORDSA-N -1 0 400.413 -2.220 20 0 HAADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548574647 1070847893 /nfs/dbraw/zinc/84/78/93/1070847893.db2.gz XMNVFBVBCHHQCD-LLVKDONJSA-N -1 0 401.426 -1.075 20 0 HAADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000548574648 1070848237 /nfs/dbraw/zinc/84/82/37/1070848237.db2.gz XMNVFBVBCHHQCD-NSHDSACASA-N -1 0 401.426 -1.075 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000548782794 1070863913 /nfs/dbraw/zinc/86/39/13/1070863913.db2.gz ZVGIMRCXCDNWOZ-UHFFFAOYSA-N -1 0 422.485 -1.393 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@H](Oc2ccccc2)C(=O)[O-])CC1 ZINC000549938543 1070967956 /nfs/dbraw/zinc/96/79/56/1070967956.db2.gz WVPYQPMSQOPMEX-ZDUSSCGKSA-N -1 0 407.470 -1.070 20 0 HAADRM COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)nn1 ZINC000551272144 1071249531 /nfs/dbraw/zinc/24/95/31/1071249531.db2.gz SCAUGJAISJGEJJ-UHFFFAOYSA-N -1 0 411.396 -1.142 20 0 HAADRM COc1ccc(=NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)[n-]n1 ZINC000551710074 1071255158 /nfs/dbraw/zinc/25/51/58/1071255158.db2.gz WWBKUHSAXMTVIT-UHFFFAOYSA-N -1 0 403.399 -1.653 20 0 HAADRM COCCNC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000551913124 1071258874 /nfs/dbraw/zinc/25/88/74/1071258874.db2.gz LGADQNWDCDMJRS-CYBMUJFWSA-N -1 0 420.465 -1.065 20 0 HAADRM COCCNC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000551913125 1071259101 /nfs/dbraw/zinc/25/91/01/1071259101.db2.gz LGADQNWDCDMJRS-ZDUSSCGKSA-N -1 0 420.465 -1.065 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000552487650 1071277491 /nfs/dbraw/zinc/27/74/91/1071277491.db2.gz RCSOSUNIHROGEQ-UHFFFAOYSA-N -1 0 405.454 -1.233 20 0 HAADRM CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000554538066 1071310679 /nfs/dbraw/zinc/31/06/79/1071310679.db2.gz IQGDFPBUFLJNJV-UHFFFAOYSA-N -1 0 413.518 -1.254 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000558591280 1071963421 /nfs/dbraw/zinc/96/34/21/1071963421.db2.gz ZUXAEBYRMXIHMI-DCVWNHFUSA-N -1 0 413.408 -1.042 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000558591281 1071963449 /nfs/dbraw/zinc/96/34/49/1071963449.db2.gz ZUXAEBYRMXIHMI-LFZOIZTFSA-N -1 0 413.408 -1.042 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000562310708 1071992178 /nfs/dbraw/zinc/99/21/78/1071992178.db2.gz LVTISMNWTMFXLX-LBPRGKRZSA-N -1 0 408.454 -1.260 20 0 HAADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)o1 ZINC000563740107 1071995440 /nfs/dbraw/zinc/99/54/40/1071995440.db2.gz RXHFZUMSUQPIQN-UHFFFAOYSA-N -1 0 409.442 -1.139 20 0 HAADRM O=C(CN1CCN(C(=O)CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1)N1CCOCC1 ZINC000564152123 1071998161 /nfs/dbraw/zinc/99/81/61/1071998161.db2.gz LUROXYAULNXQDX-HNNXBMFYSA-N -1 0 421.502 -1.307 20 0 HAADRM O=C(CN1CCN(C(=O)CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1)N1CCOCC1 ZINC000564152131 1071998311 /nfs/dbraw/zinc/99/83/11/1071998311.db2.gz LUROXYAULNXQDX-OAHLLOKOSA-N -1 0 421.502 -1.307 20 0 HAADRM CNS(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)ccc1[O-] ZINC000564301149 1071998989 /nfs/dbraw/zinc/99/89/89/1071998989.db2.gz FZPOIVTVIDAQEU-UHFFFAOYSA-N -1 0 403.442 -1.049 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CC1 ZINC000564405622 1071999562 /nfs/dbraw/zinc/99/95/62/1071999562.db2.gz SEBYVFCQOIKSCI-KBPBESRZSA-N -1 0 421.497 -1.545 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CC1 ZINC000564405625 1071999550 /nfs/dbraw/zinc/99/95/50/1071999550.db2.gz SEBYVFCQOIKSCI-KGLIPLIRSA-N -1 0 421.497 -1.545 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)CC1 ZINC000564405626 1071999694 /nfs/dbraw/zinc/99/96/94/1071999694.db2.gz SEBYVFCQOIKSCI-UONOGXRCSA-N -1 0 421.497 -1.545 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)CC1 ZINC000564405627 1071999420 /nfs/dbraw/zinc/99/94/20/1071999420.db2.gz SEBYVFCQOIKSCI-ZIAGYGMSSA-N -1 0 421.497 -1.545 20 0 HAADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CC2)o1 ZINC000564560906 1072000254 /nfs/dbraw/zinc/00/02/54/1072000254.db2.gz ITWRKMNGVZYEGV-WDEREUQCSA-N -1 0 401.397 -1.156 20 0 HAADRM O=C([O-])c1cn(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)nn1 ZINC000565399266 1072001325 /nfs/dbraw/zinc/00/13/25/1072001325.db2.gz AHDJFGGAYYKGHZ-UHFFFAOYSA-N -1 0 403.442 -1.126 20 0 HAADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000565589934 1072001313 /nfs/dbraw/zinc/00/13/13/1072001313.db2.gz BMRZQJRGKJABLP-JTQLQIEISA-N -1 0 405.454 -1.048 20 0 HAADRM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000565589936 1072001121 /nfs/dbraw/zinc/00/11/21/1072001121.db2.gz BMRZQJRGKJABLP-SNVBAGLBSA-N -1 0 405.454 -1.048 20 0 HAADRM COCCN(C(=O)CSc1n[n-]c2nc(=O)c(C)nn21)[C@H]1CCS(=O)(=O)C1 ZINC000565765252 1072001979 /nfs/dbraw/zinc/00/19/79/1072001979.db2.gz UDQUESOBAKWJAJ-JTQLQIEISA-N -1 0 416.485 -1.125 20 0 HAADRM COCCN(C(=O)CSc1n[n-]c2nc(=O)c(C)nn21)[C@@H]1CCS(=O)(=O)C1 ZINC000565765253 1072002306 /nfs/dbraw/zinc/00/23/06/1072002306.db2.gz UDQUESOBAKWJAJ-SNVBAGLBSA-N -1 0 416.485 -1.125 20 0 HAADRM CN1C(=O)C[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC(=O)N(C)C3=O)c2[O-])C1=O ZINC000567147344 1072005095 /nfs/dbraw/zinc/00/50/95/1072005095.db2.gz IOELEMNCOMFOLM-GHMZBOCLSA-N -1 0 402.363 -1.634 20 0 HAADRM CN1C(=O)C[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3CC(=O)N(C)C3=O)c2[O-])C1=O ZINC000567147345 1072004845 /nfs/dbraw/zinc/00/48/45/1072004845.db2.gz IOELEMNCOMFOLM-PHIMTYICSA-N -1 0 402.363 -1.634 20 0 HAADRM CN1C(=O)C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC(=O)N(C)C3=O)c2[O-])C1=O ZINC000567147346 1072005617 /nfs/dbraw/zinc/00/56/17/1072005617.db2.gz IOELEMNCOMFOLM-QWRGUYRKSA-N -1 0 402.363 -1.634 20 0 HAADRM CNS(=O)(=O)c1cc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1[O-] ZINC000568564949 1072009655 /nfs/dbraw/zinc/00/96/55/1072009655.db2.gz BLMQTIDKBCXYPY-UHFFFAOYSA-N -1 0 422.423 -1.314 20 0 HAADRM COc1cccc(S(N)(=O)=O)c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000570189076 1072015052 /nfs/dbraw/zinc/01/50/52/1072015052.db2.gz CTJBPUFVPMAXGW-UHFFFAOYSA-N -1 0 404.426 -1.459 20 0 HAADRM Cn1cc(C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])cn1 ZINC000571972629 1071375998 /nfs/dbraw/zinc/37/59/98/1071375998.db2.gz OKSUUXSGZHEWCN-LLVKDONJSA-N -1 0 408.396 -1.258 20 0 HAADRM Cn1cc(C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(=O)[O-])cn1 ZINC000571972630 1071376348 /nfs/dbraw/zinc/37/63/48/1071376348.db2.gz OKSUUXSGZHEWCN-NSHDSACASA-N -1 0 408.396 -1.258 20 0 HAADRM CNS(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000572057747 1072019211 /nfs/dbraw/zinc/01/92/11/1072019211.db2.gz JFGIHGIJDLWSRB-UHFFFAOYSA-N -1 0 406.417 -1.068 20 0 HAADRM Cn1c([O-])ncc(C(=O)NC2(CNC(=O)c3c[nH]c(=O)n(C)c3=O)CCC2)c1=O ZINC000572191707 1072019361 /nfs/dbraw/zinc/01/93/61/1072019361.db2.gz GEUUUPXVHNZZRB-UHFFFAOYSA-N -1 0 404.383 -1.632 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000573276749 1071388862 /nfs/dbraw/zinc/38/88/62/1071388862.db2.gz OVTICNAUAGKOTN-YPMHNXCESA-N -1 0 401.441 -1.026 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H](Cc2c[nH]c3cccnc23)C(=O)[O-])c(=O)n(C)c1=O ZINC000576457789 1072027568 /nfs/dbraw/zinc/02/75/68/1072027568.db2.gz JKEVEIJTJVZKKM-LLVKDONJSA-N -1 0 407.408 -1.066 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3cccnc23)C(=O)[O-])c(=O)n(C)c1=O ZINC000576457806 1072028070 /nfs/dbraw/zinc/02/80/70/1072028070.db2.gz JKEVEIJTJVZKKM-NSHDSACASA-N -1 0 407.408 -1.066 20 0 HAADRM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000576622403 1072028114 /nfs/dbraw/zinc/02/81/14/1072028114.db2.gz ZICPVDXFZYDTAP-ZDUSSCGKSA-N -1 0 400.409 -1.248 20 0 HAADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000576815460 1072028534 /nfs/dbraw/zinc/02/85/34/1072028534.db2.gz WUMSNVXLHZGVDD-UHFFFAOYSA-N -1 0 405.454 -1.004 20 0 HAADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000578214218 1072033023 /nfs/dbraw/zinc/03/30/23/1072033023.db2.gz CGEPAXFSNDFBMA-UHFFFAOYSA-N -1 0 405.454 -1.004 20 0 HAADRM CCOC(=O)CC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000578720239 1072035474 /nfs/dbraw/zinc/03/54/74/1072035474.db2.gz FPPMUGLLHLTECE-JTQLQIEISA-N -1 0 401.463 -1.806 20 0 HAADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000581004223 1070826889 /nfs/dbraw/zinc/82/68/89/1070826889.db2.gz TYIWJJGJJIAYLW-UHFFFAOYSA-N -1 0 423.517 -1.235 20 0 HAADRM Cn1cc(S(=O)(=O)NC(C)(C)CC(=O)NC(C)(C)CC(=O)[O-])c(=O)n(C)c1=O ZINC000582161197 1070852171 /nfs/dbraw/zinc/85/21/71/1070852171.db2.gz UWODMKHYESYCQS-UHFFFAOYSA-N -1 0 418.472 -1.100 20 0 HAADRM Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000582461360 1070857041 /nfs/dbraw/zinc/85/70/41/1070857041.db2.gz WGDJBMWTMLDGRZ-LBPRGKRZSA-N -1 0 408.454 -1.260 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000583599938 1070868970 /nfs/dbraw/zinc/86/89/70/1070868970.db2.gz BLSTZHSKKZCYCT-ZETCQYMHSA-N -1 0 400.335 -1.076 20 0 HAADRM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000589127840 1071379718 /nfs/dbraw/zinc/37/97/18/1071379718.db2.gz ZICPVDXFZYDTAP-CYBMUJFWSA-N -1 0 400.409 -1.248 20 0 HAADRM O=C(c1n[nH]c(=O)[n-]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000596320329 1071398775 /nfs/dbraw/zinc/39/87/75/1071398775.db2.gz GJWTXDZLKLISDS-UHFFFAOYSA-N -1 0 408.396 -1.012 20 0 HAADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)OC ZINC000600101865 1071319277 /nfs/dbraw/zinc/31/92/77/1071319277.db2.gz CZXYKVRZXPLBLM-LLVKDONJSA-N -1 0 402.381 -1.116 20 0 HAADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)OC ZINC000600101866 1071319442 /nfs/dbraw/zinc/31/94/42/1071319442.db2.gz CZXYKVRZXPLBLM-NSHDSACASA-N -1 0 402.381 -1.116 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c(=O)n(C)c1=O ZINC000601531055 1071399411 /nfs/dbraw/zinc/39/94/11/1071399411.db2.gz GOGFQNZJNGISJX-LLVKDONJSA-N -1 0 407.452 -1.260 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c(=O)n(C)c1=O ZINC000601531060 1071399488 /nfs/dbraw/zinc/39/94/88/1071399488.db2.gz GOGFQNZJNGISJX-NSHDSACASA-N -1 0 407.452 -1.260 20 0 HAADRM CC(C)(C)c1nc(=NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)s[n-]1 ZINC000606092591 1071417709 /nfs/dbraw/zinc/41/77/09/1071417709.db2.gz JVZNNRACOGCQAP-UHFFFAOYSA-N -1 0 418.545 -1.111 20 0 HAADRM CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3nnn[n-]3)c2)CC1 ZINC000606117356 1071417862 /nfs/dbraw/zinc/41/78/62/1071417862.db2.gz LBBCSHOPYHYJAY-UHFFFAOYSA-N -1 0 422.471 -1.219 20 0 HAADRM O=C(NCc1nnn[n-]1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000606117417 1071417770 /nfs/dbraw/zinc/41/77/70/1071417770.db2.gz NAGHPUMIADGZQN-CYBMUJFWSA-N -1 0 401.383 -1.531 20 0 HAADRM O=C(NCc1nnn[n-]1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000606117418 1071417942 /nfs/dbraw/zinc/41/79/42/1071417942.db2.gz NAGHPUMIADGZQN-ZDUSSCGKSA-N -1 0 401.383 -1.531 20 0 HAADRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCN1CCN(S(C)(=O)=O)CC1 ZINC000613191334 1070897722 /nfs/dbraw/zinc/89/77/22/1070897722.db2.gz LFOQSCNVCGNWJY-UHFFFAOYSA-N -1 0 412.515 -1.215 20 0 HAADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000613538364 1070900722 /nfs/dbraw/zinc/90/07/22/1070900722.db2.gz RKWAMEDIHDLURW-UHFFFAOYSA-N -1 0 424.439 -1.229 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC000618448372 1071546233 /nfs/dbraw/zinc/54/62/33/1071546233.db2.gz BGAOAGREISIYMJ-SECBINFHSA-N -1 0 405.429 -1.063 20 0 HAADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000622503956 1071554431 /nfs/dbraw/zinc/55/44/31/1071554431.db2.gz VZJGWTRDVBBYCE-UHFFFAOYSA-N -1 0 412.468 -1.344 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000646015690 1072047198 /nfs/dbraw/zinc/04/71/98/1072047198.db2.gz SPFIAWDIUITJSS-GHMZBOCLSA-N -1 0 404.383 -1.634 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000646015697 1072047233 /nfs/dbraw/zinc/04/72/33/1072047233.db2.gz SPFIAWDIUITJSS-PHIMTYICSA-N -1 0 404.383 -1.634 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000646015698 1071364829 /nfs/dbraw/zinc/36/48/29/1071364829.db2.gz SPFIAWDIUITJSS-QWRGUYRKSA-N -1 0 404.383 -1.634 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N=c3[n-]nc4nc[nH]n43)cc2)CC1 ZINC000646265967 1072047830 /nfs/dbraw/zinc/04/78/30/1072047830.db2.gz FPRAGEMJIWZBDO-UHFFFAOYSA-N -1 0 418.439 -1.021 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000674389535 1071613086 /nfs/dbraw/zinc/61/30/86/1071613086.db2.gz YMVFTEXSKCHUBK-BXKDBHETSA-N -1 0 418.410 -1.386 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000674389541 1071612844 /nfs/dbraw/zinc/61/28/44/1071612844.db2.gz YMVFTEXSKCHUBK-CABZTGNLSA-N -1 0 418.410 -1.386 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000674389543 1071612878 /nfs/dbraw/zinc/61/28/78/1071612878.db2.gz YMVFTEXSKCHUBK-JOYOIKCWSA-N -1 0 418.410 -1.386 20 0 HAADRM Cn1c([O-])ncc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2c[nH]c(=O)n(C)c2=O)c1=O ZINC000674389544 1071612912 /nfs/dbraw/zinc/61/29/12/1071612912.db2.gz YMVFTEXSKCHUBK-SKDRFNHKSA-N -1 0 418.410 -1.386 20 0 HAADRM CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000674485785 1071615246 /nfs/dbraw/zinc/61/52/46/1071615246.db2.gz ATJZYQYVUDLKJA-UHFFFAOYSA-N -1 0 418.457 -1.451 20 0 HAADRM O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1n[nH]c(=O)[n-]c1=O ZINC000679114581 1072072453 /nfs/dbraw/zinc/07/24/53/1072072453.db2.gz FDCIBHLALNOJBA-UHFFFAOYSA-N -1 0 409.380 -1.143 20 0 HAADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])O3)CC2)o1 ZINC000682523295 1072080903 /nfs/dbraw/zinc/08/09/03/1072080903.db2.gz ITWRKMNGVZYEGV-GHMZBOCLSA-N -1 0 401.397 -1.156 20 0 HAADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)o1 ZINC000682523296 1072080687 /nfs/dbraw/zinc/08/06/87/1072080687.db2.gz ITWRKMNGVZYEGV-MNOVXSKESA-N -1 0 401.397 -1.156 20 0 HAADRM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)CC2)o1 ZINC000682523298 1072080744 /nfs/dbraw/zinc/08/07/44/1072080744.db2.gz ITWRKMNGVZYEGV-QWRGUYRKSA-N -1 0 401.397 -1.156 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000682832672 1072081246 /nfs/dbraw/zinc/08/12/46/1072081246.db2.gz CXVJTZQWTOUVGU-UHFFFAOYSA-N -1 0 400.442 -1.264 20 0 HAADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000683729359 1070815714 /nfs/dbraw/zinc/81/57/14/1070815714.db2.gz JVRDBQXDZXNOPR-UHFFFAOYSA-N -1 0 405.454 -1.004 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000684064093 1070825417 /nfs/dbraw/zinc/82/54/17/1070825417.db2.gz RHEFVZITJCLAIN-GWCFXTLKSA-N -1 0 412.424 -1.146 20 0 HAADRM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000684064094 1070825321 /nfs/dbraw/zinc/82/53/21/1070825321.db2.gz RHEFVZITJCLAIN-MFKMUULPSA-N -1 0 412.424 -1.146 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)C[C@H]3CCCCO3)c2c(=O)n(C)c1=O ZINC000726350537 1072087169 /nfs/dbraw/zinc/08/71/69/1072087169.db2.gz NZRGKDXKWZXEKH-LLVKDONJSA-N -1 0 413.456 -1.161 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)C[C@@H]3CCCCO3)c2c(=O)n(C)c1=O ZINC000726350542 1072087010 /nfs/dbraw/zinc/08/70/10/1072087010.db2.gz NZRGKDXKWZXEKH-NSHDSACASA-N -1 0 413.456 -1.161 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000728761161 1070909175 /nfs/dbraw/zinc/90/91/75/1070909175.db2.gz ZSRTYMJXGLOJIU-AWEZNQCLSA-N -1 0 421.439 -1.406 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000728761168 1070908985 /nfs/dbraw/zinc/90/89/85/1070908985.db2.gz ZSRTYMJXGLOJIU-CQSZACIVSA-N -1 0 421.439 -1.406 20 0 HAADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000728771495 1070909732 /nfs/dbraw/zinc/90/97/32/1070909732.db2.gz JZIIJFRKNKEVLJ-CYBMUJFWSA-N -1 0 418.472 -1.641 20 0 HAADRM COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000728771496 1070909928 /nfs/dbraw/zinc/90/99/28/1070909928.db2.gz JZIIJFRKNKEVLJ-ZDUSSCGKSA-N -1 0 418.472 -1.641 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N3CCN(CC(N)=O)CC3)n2c(NCC)n1 ZINC000729344818 1070964516 /nfs/dbraw/zinc/96/45/16/1070964516.db2.gz MHCLEIALVFWGLR-UHFFFAOYSA-N -1 0 422.519 -1.474 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)Cn3ccc(=O)[nH]c3=O)ncnc1-2 ZINC000729458703 1071049536 /nfs/dbraw/zinc/04/95/36/1071049536.db2.gz HYIYQYCSBIHCBK-UHFFFAOYSA-N -1 0 423.231 -1.010 20 0 HAADRM CN(CC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2)S(C)(=O)=O ZINC000729459392 1071049655 /nfs/dbraw/zinc/04/96/55/1071049655.db2.gz MTFCLGYCTPBXSB-UHFFFAOYSA-N -1 0 420.293 -1.081 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)CCNS(C)(=O)=O)ncnc1-2 ZINC000729460199 1071050228 /nfs/dbraw/zinc/05/02/28/1071050228.db2.gz WRUUNMCXBPBOFT-UHFFFAOYSA-N -1 0 420.293 -1.033 20 0 HAADRM C[C@@H](NS(C)(=O)=O)C(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000729542944 1071124492 /nfs/dbraw/zinc/12/44/92/1071124492.db2.gz WZFJHWXGDDAWAS-SSDOTTSWSA-N -1 0 420.293 -1.035 20 0 HAADRM C[C@H](NS(C)(=O)=O)C(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000729542945 1071124343 /nfs/dbraw/zinc/12/43/43/1071124343.db2.gz WZFJHWXGDDAWAS-ZETCQYMHSA-N -1 0 420.293 -1.035 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)NCCS(N)(=O)=O)ncnc1-2 ZINC000729594967 1071196129 /nfs/dbraw/zinc/19/61/29/1071196129.db2.gz VBEFIBADNRKYDP-UHFFFAOYSA-N -1 0 421.281 -1.501 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)N1CCc3ccccc31)c(=O)n2C ZINC000729901204 1071647293 /nfs/dbraw/zinc/64/72/93/1071647293.db2.gz DMHCRTVYVNDCOL-UHFFFAOYSA-N -1 0 418.435 -1.143 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)N3CCc4ccccc43)c2c(=O)n(C)c1=O ZINC000729902598 1071647066 /nfs/dbraw/zinc/64/70/66/1071647066.db2.gz KWZFGJBPASGYGG-UHFFFAOYSA-N -1 0 418.435 -1.143 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000730520778 1071647201 /nfs/dbraw/zinc/64/72/01/1071647201.db2.gz NLZUSLMLURCRHV-UHFFFAOYSA-N -1 0 403.399 -2.399 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000730523587 1071647047 /nfs/dbraw/zinc/64/70/47/1071647047.db2.gz LBPXGBGGOYWWEL-UHFFFAOYSA-N -1 0 411.444 -2.208 20 0 HAADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730546009 1071647766 /nfs/dbraw/zinc/64/77/66/1071647766.db2.gz LOBKPEWGIWSPDV-CYBMUJFWSA-N -1 0 405.459 -1.243 20 0 HAADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730546010 1071647647 /nfs/dbraw/zinc/64/76/47/1071647647.db2.gz LOBKPEWGIWSPDV-ZDUSSCGKSA-N -1 0 405.459 -1.243 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)CC2)CC1 ZINC000730586857 1071647858 /nfs/dbraw/zinc/64/78/58/1071647858.db2.gz KHSAXDJOINXWKW-UHFFFAOYSA-N -1 0 424.487 -2.292 20 0 HAADRM Cn1cnc2c1c(=O)n(CCCOC(=O)Cn1[n-]cc3c(=O)ncnc1-3)c(=O)n2C ZINC000730657121 1071647828 /nfs/dbraw/zinc/64/78/28/1071647828.db2.gz JXJMVEBVTDBMAV-UHFFFAOYSA-N -1 0 414.382 -1.548 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000731921348 1071650052 /nfs/dbraw/zinc/65/00/52/1071650052.db2.gz UEBGYMKEMVFMNC-UHFFFAOYSA-N -1 0 419.437 -1.960 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000731921364 1071650081 /nfs/dbraw/zinc/65/00/81/1071650081.db2.gz VDGJDPBKZBKLKK-UHFFFAOYSA-N -1 0 419.437 -1.960 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)CN3CC(=O)NC3=O)ncnc1-2 ZINC000732288355 1071651755 /nfs/dbraw/zinc/65/17/55/1071651755.db2.gz QMOAOUKTZOHTGK-UHFFFAOYSA-N -1 0 411.220 -1.421 20 0 HAADRM O=C(c1cc(=O)[nH][n-]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000732291847 1071651659 /nfs/dbraw/zinc/65/16/59/1071651659.db2.gz ZWNRHLAHYXFWTE-UHFFFAOYSA-N -1 0 407.408 -1.274 20 0 HAADRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000732507733 1071652820 /nfs/dbraw/zinc/65/28/20/1071652820.db2.gz GPSNEWQWKDVAKF-UHFFFAOYSA-N -1 0 419.481 -1.097 20 0 HAADRM CCOCCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000732508074 1071652837 /nfs/dbraw/zinc/65/28/37/1071652837.db2.gz LFNHKFULHBXRRC-UHFFFAOYSA-N -1 0 419.481 -1.097 20 0 HAADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[N-]S(=O)(=O)CCOC)c1 ZINC000732520866 1071652768 /nfs/dbraw/zinc/65/27/68/1071652768.db2.gz MRBHPHZEHQAQTA-UHFFFAOYSA-N -1 0 409.486 -1.029 20 0 HAADRM COCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000732521264 1071652793 /nfs/dbraw/zinc/65/27/93/1071652793.db2.gz RUZCASOEDLWSFT-UHFFFAOYSA-N -1 0 405.454 -1.487 20 0 HAADRM COCCS(=O)(=O)[N-]C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000732521772 1071652814 /nfs/dbraw/zinc/65/28/14/1071652814.db2.gz RYGUNABRUWNIAX-UHFFFAOYSA-N -1 0 408.234 -1.015 20 0 HAADRM COCCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000732522353 1071652749 /nfs/dbraw/zinc/65/27/49/1071652749.db2.gz AFQWXHUHSUIHCR-UHFFFAOYSA-N -1 0 405.454 -1.487 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1)c(=O)n2C ZINC000732609799 1071652828 /nfs/dbraw/zinc/65/28/28/1071652828.db2.gz IZHBUTQINQJKMA-UHFFFAOYSA-N -1 0 412.815 -1.013 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3ccc(Cl)cn3)c2c(=O)n(C)c1=O ZINC000732612125 1071653371 /nfs/dbraw/zinc/65/33/71/1071653371.db2.gz FHNXONVTJXXHGT-UHFFFAOYSA-N -1 0 412.815 -1.013 20 0 HAADRM Cn1c2nc(C(=O)[N-]S(=O)(=O)c3ccc(C(N)=O)s3)ccc2c(=O)n(C)c1=O ZINC000732616356 1071653497 /nfs/dbraw/zinc/65/34/97/1071653497.db2.gz HQDXQDXNVZCAJX-UHFFFAOYSA-N -1 0 423.432 -1.089 20 0 HAADRM Cn1c2ncc(C(=O)[N-]S(=O)(=O)c3ccc(C(N)=O)s3)cc2c(=O)n(C)c1=O ZINC000732617588 1071653313 /nfs/dbraw/zinc/65/33/13/1071653313.db2.gz NXGFHHQWWIUGHJ-UHFFFAOYSA-N -1 0 423.432 -1.089 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NCCN3C(=O)CNC3=O)n2c(NCC)n1 ZINC000733270498 1071653984 /nfs/dbraw/zinc/65/39/84/1071653984.db2.gz KIXPATQSJBANQW-UHFFFAOYSA-N -1 0 422.475 -1.435 20 0 HAADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000733714905 1071655617 /nfs/dbraw/zinc/65/56/17/1071655617.db2.gz LCJGZRCMYDXARA-LLVKDONJSA-N -1 0 419.481 -1.098 20 0 HAADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000733714906 1071655787 /nfs/dbraw/zinc/65/57/87/1071655787.db2.gz LCJGZRCMYDXARA-NSHDSACASA-N -1 0 419.481 -1.098 20 0 HAADRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000733715103 1071655794 /nfs/dbraw/zinc/65/57/94/1071655794.db2.gz AEZSSBSHWFTUMV-LLVKDONJSA-N -1 0 419.481 -1.098 20 0 HAADRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000733715104 1071655751 /nfs/dbraw/zinc/65/57/51/1071655751.db2.gz AEZSSBSHWFTUMV-NSHDSACASA-N -1 0 419.481 -1.098 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000733719401 1071655780 /nfs/dbraw/zinc/65/57/80/1071655780.db2.gz GIQOWGPBNUPKRG-LLVKDONJSA-N -1 0 407.470 -1.106 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000733719402 1071655739 /nfs/dbraw/zinc/65/57/39/1071655739.db2.gz GIQOWGPBNUPKRG-NSHDSACASA-N -1 0 407.470 -1.106 20 0 HAADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000733721758 1071655660 /nfs/dbraw/zinc/65/56/60/1071655660.db2.gz SBPLFCIRVMBIKE-CYBMUJFWSA-N -1 0 417.465 -1.344 20 0 HAADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000733721760 1071655604 /nfs/dbraw/zinc/65/56/04/1071655604.db2.gz SBPLFCIRVMBIKE-ZDUSSCGKSA-N -1 0 417.465 -1.344 20 0 HAADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000733724147 1071655733 /nfs/dbraw/zinc/65/57/33/1071655733.db2.gz PXCMARIWMWFKFZ-CYBMUJFWSA-N -1 0 417.465 -1.344 20 0 HAADRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000733724148 1071655716 /nfs/dbraw/zinc/65/57/16/1071655716.db2.gz PXCMARIWMWFKFZ-ZDUSSCGKSA-N -1 0 417.465 -1.344 20 0 HAADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1=O ZINC000733857743 1071655682 /nfs/dbraw/zinc/65/56/82/1071655682.db2.gz QPIKNBOXIZOIHJ-UHFFFAOYSA-N -1 0 421.479 -1.274 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000734088705 1071658017 /nfs/dbraw/zinc/65/80/17/1071658017.db2.gz OQAGLFXXRGKJDF-UHFFFAOYSA-N -1 0 401.401 -2.167 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000734089454 1071658116 /nfs/dbraw/zinc/65/81/16/1071658116.db2.gz KJDVJOQRIQQQDF-UHFFFAOYSA-N -1 0 415.428 -1.777 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000734090337 1071657949 /nfs/dbraw/zinc/65/79/49/1071657949.db2.gz VFBNMNSNNAHZNV-UHFFFAOYSA-N -1 0 401.401 -2.167 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000734971386 1071658748 /nfs/dbraw/zinc/65/87/48/1071658748.db2.gz KADFSUOEFRLRQU-UHFFFAOYSA-N -1 0 415.453 -1.112 20 0 HAADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1=O ZINC000734971991 1071658633 /nfs/dbraw/zinc/65/86/33/1071658633.db2.gz IAUANFHDPODRDE-UHFFFAOYSA-N -1 0 401.422 -1.544 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C(=O)C1=O ZINC000734972956 1071658814 /nfs/dbraw/zinc/65/88/14/1071658814.db2.gz TYOSEJVGSPDUDS-UHFFFAOYSA-N -1 0 417.465 -1.414 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)C(=O)C1=O ZINC000734975165 1071658691 /nfs/dbraw/zinc/65/86/91/1071658691.db2.gz QTHPLBNOGJORIP-UHFFFAOYSA-N -1 0 410.452 -1.116 20 0 HAADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)n(C)c1=O ZINC000735203933 1071660554 /nfs/dbraw/zinc/66/05/54/1071660554.db2.gz NRFZKFCAHNHKDM-UHFFFAOYSA-N -1 0 420.403 -1.560 20 0 HAADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(=O)n(C)c1=O ZINC000735205470 1071660508 /nfs/dbraw/zinc/66/05/08/1071660508.db2.gz CCSSARLECPCEJZ-UHFFFAOYSA-N -1 0 401.422 -1.394 20 0 HAADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000735208529 1071660558 /nfs/dbraw/zinc/66/05/58/1071660558.db2.gz YYOIGGOZPWQCIU-UHFFFAOYSA-N -1 0 405.396 -1.607 20 0 HAADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000735210794 1071660973 /nfs/dbraw/zinc/66/09/73/1071660973.db2.gz PJVLAPGKHKEMPO-UHFFFAOYSA-N -1 0 400.438 -1.100 20 0 HAADRM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000735210926 1071661015 /nfs/dbraw/zinc/66/10/15/1071661015.db2.gz JDLJRXSZJJLHEA-UHFFFAOYSA-N -1 0 421.479 -1.124 20 0 HAADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000735211261 1071660473 /nfs/dbraw/zinc/66/04/73/1071660473.db2.gz URGPPDGGOGBBCU-UHFFFAOYSA-N -1 0 414.465 -1.057 20 0 HAADRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c1=O ZINC000735216126 1071660913 /nfs/dbraw/zinc/66/09/13/1071660913.db2.gz ACYOXWLUWOKFDM-UHFFFAOYSA-N -1 0 401.422 -1.394 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735401698 1071661039 /nfs/dbraw/zinc/66/10/39/1071661039.db2.gz MYDZFEFGTUAZFP-HNNXBMFYSA-N -1 0 422.463 -1.096 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000735401699 1071660857 /nfs/dbraw/zinc/66/08/57/1071660857.db2.gz MYDZFEFGTUAZFP-OAHLLOKOSA-N -1 0 422.463 -1.096 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C(=O)C1=O ZINC000735405384 1071660964 /nfs/dbraw/zinc/66/09/64/1071660964.db2.gz WTZIDCUCSFHYOH-UHFFFAOYSA-N -1 0 408.436 -1.532 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1 ZINC000735406078 1071660940 /nfs/dbraw/zinc/66/09/40/1071660940.db2.gz WTABBTOQXIFBIY-UHFFFAOYSA-N -1 0 406.424 -1.229 20 0 HAADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(=O)n(C)c1=O ZINC000735406264 1071660894 /nfs/dbraw/zinc/66/08/94/1071660894.db2.gz LCUIKIBZXJCRCQ-GQCTYLIASA-N -1 0 418.431 -1.112 20 0 HAADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(=O)n(C)c1=O ZINC000735406265 1071660987 /nfs/dbraw/zinc/66/09/87/1071660987.db2.gz LCUIKIBZXJCRCQ-XQRVVYSFSA-N -1 0 418.431 -1.112 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000735769182 1071661638 /nfs/dbraw/zinc/66/16/38/1071661638.db2.gz RXJZQDDFXCLHSI-CHWSQXEVSA-N -1 0 418.472 -1.498 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000735769187 1071661604 /nfs/dbraw/zinc/66/16/04/1071661604.db2.gz RXJZQDDFXCLHSI-OLZOCXBDSA-N -1 0 418.472 -1.498 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000735769192 1071661744 /nfs/dbraw/zinc/66/17/44/1071661744.db2.gz RXJZQDDFXCLHSI-QWHCGFSZSA-N -1 0 418.472 -1.498 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000735769194 1071661643 /nfs/dbraw/zinc/66/16/43/1071661643.db2.gz RXJZQDDFXCLHSI-STQMWFEESA-N -1 0 418.472 -1.498 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CN1CCN(CC)C(=O)C1=O ZINC000735772700 1071662235 /nfs/dbraw/zinc/66/22/35/1071662235.db2.gz VAADOJPMZXYBKF-LLVKDONJSA-N -1 0 404.445 -1.934 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CN1CCN(CC)C(=O)C1=O ZINC000735772701 1071662258 /nfs/dbraw/zinc/66/22/58/1071662258.db2.gz VAADOJPMZXYBKF-NSHDSACASA-N -1 0 404.445 -1.934 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000735774342 1071662135 /nfs/dbraw/zinc/66/21/35/1071662135.db2.gz GHJALXPTTQTYRT-LLVKDONJSA-N -1 0 412.428 -1.482 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000735774345 1071662190 /nfs/dbraw/zinc/66/21/90/1071662190.db2.gz GHJALXPTTQTYRT-NSHDSACASA-N -1 0 412.428 -1.482 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000735774353 1071662268 /nfs/dbraw/zinc/66/22/68/1071662268.db2.gz GKVGPBVOIRDZGY-ABZNLYFFSA-N -1 0 414.440 -1.514 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000735774357 1071662227 /nfs/dbraw/zinc/66/22/27/1071662227.db2.gz GKVGPBVOIRDZGY-GUOLPTJISA-N -1 0 414.440 -1.514 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000735774360 1071662075 /nfs/dbraw/zinc/66/20/75/1071662075.db2.gz GKVGPBVOIRDZGY-KRZKBDHCSA-N -1 0 414.440 -1.514 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000735774363 1071662108 /nfs/dbraw/zinc/66/21/08/1071662108.db2.gz GKVGPBVOIRDZGY-QDZRJHCZSA-N -1 0 414.440 -1.514 20 0 HAADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000735775914 1071662222 /nfs/dbraw/zinc/66/22/22/1071662222.db2.gz ROYULBKXOHNBLW-LLVKDONJSA-N -1 0 402.433 -1.632 20 0 HAADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000735775915 1071662182 /nfs/dbraw/zinc/66/21/82/1071662182.db2.gz ROYULBKXOHNBLW-NSHDSACASA-N -1 0 402.433 -1.632 20 0 HAADRM COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2)CC1 ZINC000737267245 1071664078 /nfs/dbraw/zinc/66/40/78/1071664078.db2.gz GUUQNSMLGQBDRL-UHFFFAOYSA-N -1 0 402.415 -1.250 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000739189658 1071665299 /nfs/dbraw/zinc/66/52/99/1071665299.db2.gz WVMGHCHJWLRHQN-UHFFFAOYSA-N -1 0 412.424 -1.047 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCS(=O)(=O)N3CCOCC3)cc2=O)n1 ZINC000741749594 1071666974 /nfs/dbraw/zinc/66/69/74/1071666974.db2.gz ZNCJVOCQAJONST-UHFFFAOYSA-N -1 0 410.456 -1.036 20 0 HAADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)N2CCN(Cc3ccccc3)CC2)nn1 ZINC000744092136 1071670269 /nfs/dbraw/zinc/67/02/69/1071670269.db2.gz LXFWWDBHHZPXNW-UHFFFAOYSA-N -1 0 407.456 -1.444 20 0 HAADRM COc1cc2c(cc1OC)CN(S(=O)(=O)[N-]C(=O)c1cn(CC(N)=O)nn1)CC2 ZINC000744107484 1071670298 /nfs/dbraw/zinc/67/02/98/1071670298.db2.gz PBGHZYKIXDSLLL-UHFFFAOYSA-N -1 0 424.439 -1.187 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000744143705 1071670261 /nfs/dbraw/zinc/67/02/61/1071670261.db2.gz ZCRKVMHBWNRRBU-UHFFFAOYSA-N -1 0 406.438 -1.042 20 0 HAADRM COc1ccccc1S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000744208109 1071670282 /nfs/dbraw/zinc/67/02/82/1071670282.db2.gz BWQBIYMHNOKMKX-UHFFFAOYSA-N -1 0 407.408 -1.053 20 0 HAADRM COc1ccccc1S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000744208551 1071670239 /nfs/dbraw/zinc/67/02/39/1071670239.db2.gz CTEABWDMYDUUNB-UHFFFAOYSA-N -1 0 407.408 -1.053 20 0 HAADRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000744241393 1071670278 /nfs/dbraw/zinc/67/02/78/1071670278.db2.gz GDUDTBPNJWBAPY-UHFFFAOYSA-N -1 0 404.470 -1.267 20 0 HAADRM CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000744242899 1071670889 /nfs/dbraw/zinc/67/08/89/1071670889.db2.gz LHHABZQATNDKNN-UHFFFAOYSA-N -1 0 404.470 -1.267 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)CCOc1ccccc1)c(=O)n2C ZINC000744295372 1071670895 /nfs/dbraw/zinc/67/08/95/1071670895.db2.gz LPHGAFXXRCPNKF-UHFFFAOYSA-N -1 0 421.435 -1.041 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)CCOc3ccccc3)c2c(=O)n(C)c1=O ZINC000744299721 1071670802 /nfs/dbraw/zinc/67/08/02/1071670802.db2.gz KRNQYQHWYXZIIH-UHFFFAOYSA-N -1 0 421.435 -1.041 20 0 HAADRM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCO[C@H](c4nnn[n-]4)C3)CC2=O)c1 ZINC000746238367 1071675642 /nfs/dbraw/zinc/67/56/42/1071675642.db2.gz YVEMAVSWTILJIL-GWCFXTLKSA-N -1 0 421.439 -1.200 20 0 HAADRM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)CC2=O)c1 ZINC000746238374 1071675776 /nfs/dbraw/zinc/67/57/76/1071675776.db2.gz YVEMAVSWTILJIL-GXFFZTMASA-N -1 0 421.439 -1.200 20 0 HAADRM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCO[C@H](c4nnn[n-]4)C3)CC2=O)c1 ZINC000746238376 1071675729 /nfs/dbraw/zinc/67/57/29/1071675729.db2.gz YVEMAVSWTILJIL-MFKMUULPSA-N -1 0 421.439 -1.200 20 0 HAADRM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)CC2=O)c1 ZINC000746238380 1071675741 /nfs/dbraw/zinc/67/57/41/1071675741.db2.gz YVEMAVSWTILJIL-ZWNOBZJWSA-N -1 0 421.439 -1.200 20 0 HAADRM CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000746352677 1071676300 /nfs/dbraw/zinc/67/63/00/1071676300.db2.gz SGXYOYKYOLTISA-UHFFFAOYSA-N -1 0 408.454 -1.021 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Cl ZINC000746434801 1071676938 /nfs/dbraw/zinc/67/69/38/1071676938.db2.gz RKFAYAZXZDNWTL-UHFFFAOYSA-N -1 0 415.819 -1.674 20 0 HAADRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000746872811 1071700996 /nfs/dbraw/zinc/70/09/96/1071700996.db2.gz VGKNCKBUDMHPSR-UHFFFAOYSA-N -1 0 412.472 -1.030 20 0 HAADRM NC(=O)Cn1cc(C(=O)[N-]S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)nn1 ZINC000747137880 1071705176 /nfs/dbraw/zinc/70/51/76/1071705176.db2.gz DDACHTOSXDNYLI-UHFFFAOYSA-N -1 0 422.423 -1.156 20 0 HAADRM CC(C)(C)OC(=O)N1CCN(CC(=O)[N-]S(=O)(=O)N2CCOCC2)C(=O)C1 ZINC000747752456 1071723656 /nfs/dbraw/zinc/72/36/56/1071723656.db2.gz VIGFFLOGISCZKC-UHFFFAOYSA-N -1 0 406.461 -1.241 20 0 HAADRM COc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000747752457 1071723683 /nfs/dbraw/zinc/72/36/83/1071723683.db2.gz VKDRJVUPZCWALN-UHFFFAOYSA-N -1 0 403.413 -1.125 20 0 HAADRM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1 ZINC000747756925 1071724341 /nfs/dbraw/zinc/72/43/41/1071724341.db2.gz GNWAUFZBQQOTMV-UHFFFAOYSA-N -1 0 419.481 -1.145 20 0 HAADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cc(=O)[nH][n-]3)C2)CC1 ZINC000748374071 1072066117 /nfs/dbraw/zinc/06/61/17/1072066117.db2.gz CSYPJFWZHHBMKJ-UHFFFAOYSA-N -1 0 415.472 -1.044 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000748844908 1072067766 /nfs/dbraw/zinc/06/77/66/1072067766.db2.gz BOGNCYIPOGPFIP-UHFFFAOYSA-N -1 0 412.424 -1.047 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000748906368 1072067761 /nfs/dbraw/zinc/06/77/61/1072067761.db2.gz ROYGDRXZAOKGCS-UHFFFAOYSA-N -1 0 414.440 -1.337 20 0 HAADRM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)Cn3ccc(=O)n(C)c3=O)cn2)c1 ZINC000748992800 1072068451 /nfs/dbraw/zinc/06/84/51/1072068451.db2.gz XLKXDZDFAXEDBC-UHFFFAOYSA-N -1 0 404.408 -1.059 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000749217233 1072088824 /nfs/dbraw/zinc/08/88/24/1072088824.db2.gz JQTBNSGYBNTNRT-UHFFFAOYSA-N -1 0 409.428 -1.455 20 0 HAADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000750347203 1072090890 /nfs/dbraw/zinc/09/08/90/1072090890.db2.gz VEWIWLRGQOCCFT-UHFFFAOYSA-N -1 0 423.459 -1.196 20 0 HAADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750348269 1072090929 /nfs/dbraw/zinc/09/09/29/1072090929.db2.gz PWFWKFLYUPMXHV-UHFFFAOYSA-N -1 0 421.443 -1.442 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)nn1 ZINC000750384614 1072091271 /nfs/dbraw/zinc/09/12/71/1072091271.db2.gz KSTXMVZBXGVPJF-UHFFFAOYSA-N -1 0 405.400 -1.539 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)nn1 ZINC000750396628 1072091242 /nfs/dbraw/zinc/09/12/42/1072091242.db2.gz CQHKUSLZWAOTQC-UHFFFAOYSA-N -1 0 419.427 -1.325 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)nn1 ZINC000750397149 1072091156 /nfs/dbraw/zinc/09/11/56/1072091156.db2.gz KXIHLFYNAWYRIO-UHFFFAOYSA-N -1 0 415.453 -1.112 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750726285 1072091617 /nfs/dbraw/zinc/09/16/17/1072091617.db2.gz RLWFHZLLFHFFMQ-UHFFFAOYSA-N -1 0 422.485 -1.647 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)N3CCOCC3)c2c(=O)n(C)c1=O ZINC000750727025 1072091586 /nfs/dbraw/zinc/09/15/86/1072091586.db2.gz CHIXFDHNYCUIQH-UHFFFAOYSA-N -1 0 400.417 -2.483 20 0 HAADRM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000750727784 1072091853 /nfs/dbraw/zinc/09/18/53/1072091853.db2.gz DGYSBGSXGNPGGK-UHFFFAOYSA-N -1 0 408.436 -1.249 20 0 HAADRM CN(CC(=O)[N-]S(=O)(=O)N1CCOCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000750729283 1072091792 /nfs/dbraw/zinc/09/17/92/1072091792.db2.gz MIKIQSHYJVPVOD-UHFFFAOYSA-N -1 0 402.454 -1.240 20 0 HAADRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000750731734 1072091763 /nfs/dbraw/zinc/09/17/63/1072091763.db2.gz ORNTYOZJVTUBHD-UHFFFAOYSA-N -1 0 409.442 -1.393 20 0 HAADRM CNS(=O)(=O)CC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000751576467 1072092266 /nfs/dbraw/zinc/09/22/66/1072092266.db2.gz BQOOKDQXXMQJGL-UHFFFAOYSA-N -1 0 406.266 -1.423 20 0 HAADRM CN(CC(=O)[N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O ZINC000751850625 1072092570 /nfs/dbraw/zinc/09/25/70/1072092570.db2.gz JTUMTTXBQQVLCT-UHFFFAOYSA-N -1 0 416.474 -1.063 20 0 HAADRM CN(C)S(=O)(=O)CC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000752029862 1072092625 /nfs/dbraw/zinc/09/26/25/1072092625.db2.gz MZRJLZHWWOSQLW-UHFFFAOYSA-N -1 0 420.293 -1.081 20 0 HAADRM O=c1nc2[nH]cc(S(=O)(=O)NCCS(=O)(=O)N3CCOCC3)cc-2c(=O)[n-]1 ZINC000752248179 1072092913 /nfs/dbraw/zinc/09/29/13/1072092913.db2.gz RQVVEVWHLAIRKN-UHFFFAOYSA-N -1 0 419.441 -1.624 20 0 HAADRM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000752254503 1072092922 /nfs/dbraw/zinc/09/29/22/1072092922.db2.gz KCXQNORQHDNEAA-UHFFFAOYSA-N -1 0 411.396 -1.168 20 0 HAADRM CCc1c(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754021334 1072094180 /nfs/dbraw/zinc/09/41/80/1072094180.db2.gz PFJFSLFMLQGNQT-LLVKDONJSA-N -1 0 400.399 -1.079 20 0 HAADRM CCc1c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754021335 1072094255 /nfs/dbraw/zinc/09/42/55/1072094255.db2.gz PFJFSLFMLQGNQT-NSHDSACASA-N -1 0 400.399 -1.079 20 0 HAADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000754423025 1072094770 /nfs/dbraw/zinc/09/47/70/1072094770.db2.gz VJWQLRMBMDUCOP-GFCCVEGCSA-N -1 0 412.472 -1.030 20 0 HAADRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000754423032 1072094742 /nfs/dbraw/zinc/09/47/42/1072094742.db2.gz VJWQLRMBMDUCOP-LBPRGKRZSA-N -1 0 412.472 -1.030 20 0 HAADRM CCc1c(C(=O)[N-]S(=O)(=O)N2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754535979 1072094883 /nfs/dbraw/zinc/09/48/83/1072094883.db2.gz PMBPJXOFHITCIH-UHFFFAOYSA-N -1 0 411.440 -1.499 20 0 HAADRM CCc1c(C(=O)[N-]S(=O)(=O)N(C)CCOC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754545106 1072095301 /nfs/dbraw/zinc/09/53/01/1072095301.db2.gz MAGDGWRSHYUPCX-UHFFFAOYSA-N -1 0 413.456 -1.253 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1)c(=O)n2C ZINC000756588133 1072096875 /nfs/dbraw/zinc/09/68/75/1072096875.db2.gz KKVVFDNMQMMLNB-UHFFFAOYSA-N -1 0 412.815 -1.013 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3cncc(Cl)c3)c2c(=O)n(C)c1=O ZINC000756593257 1072096934 /nfs/dbraw/zinc/09/69/34/1072096934.db2.gz HKUNOZCFYUIBFX-UHFFFAOYSA-N -1 0 412.815 -1.013 20 0 HAADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000757316414 1072097721 /nfs/dbraw/zinc/09/77/21/1072097721.db2.gz MLLKIQLYBINDIC-UHFFFAOYSA-N -1 0 424.501 -1.401 20 0 HAADRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000757333821 1072097825 /nfs/dbraw/zinc/09/78/25/1072097825.db2.gz DZFPPODRSPCGNS-UHFFFAOYSA-N -1 0 411.458 -1.147 20 0 HAADRM COCCN(C)S(=O)(=O)[N-]C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000757333854 1072097806 /nfs/dbraw/zinc/09/78/06/1072097806.db2.gz FOCOETJNFVNWDV-UHFFFAOYSA-N -1 0 410.452 -1.003 20 0 HAADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000757333974 1072097796 /nfs/dbraw/zinc/09/77/96/1072097796.db2.gz HXGSKFYPWQIOHB-UHFFFAOYSA-N -1 0 402.433 -2.237 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]c2ncc3c(n2)CCC2(C3)OCCO2)c(=O)n(C)c1=O ZINC000758414996 1072098944 /nfs/dbraw/zinc/09/89/44/1072098944.db2.gz IPSIUZMKHNBSGK-UHFFFAOYSA-N -1 0 409.424 -1.093 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758577575 1072099612 /nfs/dbraw/zinc/09/96/12/1072099612.db2.gz LXKAPFXWPMAZTE-UHFFFAOYSA-N -1 0 415.453 -1.045 20 0 HAADRM CCS(=O)(=O)NCC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000759017132 1072099921 /nfs/dbraw/zinc/09/99/21/1072099921.db2.gz XRCNALUQJPHWMY-UHFFFAOYSA-N -1 0 420.293 -1.033 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000759128438 1072099860 /nfs/dbraw/zinc/09/98/60/1072099860.db2.gz GWPNVIRMZGBVAA-SSDOTTSWSA-N -1 0 417.362 -1.000 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000759128439 1072099986 /nfs/dbraw/zinc/09/99/86/1072099986.db2.gz GWPNVIRMZGBVAA-ZETCQYMHSA-N -1 0 417.362 -1.000 20 0 HAADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000759516770 1072100498 /nfs/dbraw/zinc/10/04/98/1072100498.db2.gz FJXFBRBMPNCVMB-PLNGDYQASA-N -1 0 414.425 -1.588 20 0 HAADRM CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)s1 ZINC000759516801 1072100290 /nfs/dbraw/zinc/10/02/90/1072100290.db2.gz FJXFBRBMPNCVMB-SNAWJCMRSA-N -1 0 414.425 -1.588 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)C(=O)C1=O ZINC000759521047 1072100353 /nfs/dbraw/zinc/10/03/53/1072100353.db2.gz RKBILABATLBDDC-UHFFFAOYSA-N -1 0 404.430 -2.008 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000759829824 1070915762 /nfs/dbraw/zinc/91/57/62/1070915762.db2.gz ACSOBFDPIXIVCF-UHFFFAOYSA-N -1 0 408.396 -1.658 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC000759830592 1070915803 /nfs/dbraw/zinc/91/58/03/1070915803.db2.gz QDJAZSBJPJEPSH-GHMZBOCLSA-N -1 0 417.465 -1.069 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC000759830596 1070915717 /nfs/dbraw/zinc/91/57/17/1070915717.db2.gz QDJAZSBJPJEPSH-MNOVXSKESA-N -1 0 417.465 -1.069 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC000759830600 1070915856 /nfs/dbraw/zinc/91/58/56/1070915856.db2.gz QDJAZSBJPJEPSH-QWRGUYRKSA-N -1 0 417.465 -1.069 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC000759830605 1070915866 /nfs/dbraw/zinc/91/58/66/1070915866.db2.gz QDJAZSBJPJEPSH-WDEREUQCSA-N -1 0 417.465 -1.069 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cn1 ZINC000759830900 1070915646 /nfs/dbraw/zinc/91/56/46/1070915646.db2.gz JVPBLCWFYKNKBP-UHFFFAOYSA-N -1 0 408.396 -1.658 20 0 HAADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000759840713 1070917062 /nfs/dbraw/zinc/91/70/62/1070917062.db2.gz LINLAIFMCDXNBX-UHFFFAOYSA-N -1 0 422.423 -1.268 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000760083372 1071127088 /nfs/dbraw/zinc/12/70/88/1071127088.db2.gz ACLODOZRBOVENW-UHFFFAOYSA-N -1 0 408.377 -1.027 20 0 HAADRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C2 ZINC000760524610 1071246964 /nfs/dbraw/zinc/24/69/64/1071246964.db2.gz JJFOUKMVFAQDFI-UHFFFAOYSA-N -1 0 406.365 -1.068 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000760809866 1071387413 /nfs/dbraw/zinc/38/74/13/1071387413.db2.gz BDSRZWOVIHJHJM-NXEZZACHSA-N -1 0 401.407 -1.254 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000760809868 1071387201 /nfs/dbraw/zinc/38/72/01/1071387201.db2.gz BDSRZWOVIHJHJM-UWVGGRQHSA-N -1 0 401.407 -1.254 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000760809870 1071387670 /nfs/dbraw/zinc/38/76/70/1071387670.db2.gz BDSRZWOVIHJHJM-VHSXEESVSA-N -1 0 401.407 -1.254 20 0 HAADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000760809872 1071387295 /nfs/dbraw/zinc/38/72/95/1071387295.db2.gz BDSRZWOVIHJHJM-ZJUUUORDSA-N -1 0 401.407 -1.254 20 0 HAADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(CC)C(=O)C2=O)nc1 ZINC000761017615 1071394179 /nfs/dbraw/zinc/39/41/79/1071394179.db2.gz OMXBUNOQJOODMD-UHFFFAOYSA-N -1 0 412.424 -1.246 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000763445604 1071531286 /nfs/dbraw/zinc/53/12/86/1071531286.db2.gz LUBGVDQQZSVNGB-UHFFFAOYSA-N -1 0 419.481 -1.097 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000763450303 1071537506 /nfs/dbraw/zinc/53/75/06/1071537506.db2.gz JDHSHARRFAVDRJ-UHFFFAOYSA-N -1 0 424.526 -1.052 20 0 HAADRM COCCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000763456571 1071538885 /nfs/dbraw/zinc/53/88/85/1071538885.db2.gz LUCGQIQJCFYOJE-UHFFFAOYSA-N -1 0 407.470 -1.193 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000763457631 1071539169 /nfs/dbraw/zinc/53/91/69/1071539169.db2.gz LRCRAVUKNMFRQB-KRWDZBQOSA-N -1 0 408.436 -1.038 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000763457633 1071539415 /nfs/dbraw/zinc/53/94/15/1071539415.db2.gz LRCRAVUKNMFRQB-QGZVFWFLSA-N -1 0 408.436 -1.038 20 0 HAADRM COCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000763459579 1071539785 /nfs/dbraw/zinc/53/97/85/1071539785.db2.gz WSBGKCPLUJKYGN-UHFFFAOYSA-N -1 0 407.470 -1.193 20 0 HAADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000764215207 1071571063 /nfs/dbraw/zinc/57/10/63/1071571063.db2.gz FIJOVWZFYBYXKY-LLVKDONJSA-N -1 0 419.481 -1.098 20 0 HAADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000764215212 1071571070 /nfs/dbraw/zinc/57/10/70/1071571070.db2.gz FIJOVWZFYBYXKY-NSHDSACASA-N -1 0 419.481 -1.098 20 0 HAADRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000764216724 1071570993 /nfs/dbraw/zinc/57/09/93/1071570993.db2.gz NTYNKHJAKGTBGL-LLVKDONJSA-N -1 0 419.481 -1.098 20 0 HAADRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000764216725 1071570922 /nfs/dbraw/zinc/57/09/22/1071570922.db2.gz NTYNKHJAKGTBGL-NSHDSACASA-N -1 0 419.481 -1.098 20 0 HAADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000764307634 1071570959 /nfs/dbraw/zinc/57/09/59/1071570959.db2.gz NEOFTTMRMZAOPS-UHFFFAOYSA-N -1 0 401.445 -1.305 20 0 HAADRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000764307652 1071571091 /nfs/dbraw/zinc/57/10/91/1071571091.db2.gz OCBLHVOOZRQXNR-UHFFFAOYSA-N -1 0 401.445 -1.305 20 0 HAADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3CCN(C(=O)CO)CC3)n21 ZINC000765263487 1071572345 /nfs/dbraw/zinc/57/23/45/1071572345.db2.gz OTOMBTVUXMTWEQ-UHFFFAOYSA-N -1 0 423.503 -1.440 20 0 HAADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1=O ZINC000765608734 1071574560 /nfs/dbraw/zinc/57/45/60/1071574560.db2.gz GOIQRMPCZMGVNJ-UHFFFAOYSA-N -1 0 407.408 -1.286 20 0 HAADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)c1=O ZINC000765611149 1071574597 /nfs/dbraw/zinc/57/45/97/1071574597.db2.gz NMVKUYBNLWXEGX-UHFFFAOYSA-N -1 0 406.417 -1.359 20 0 HAADRM Cn1cnn(CC(=O)[N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1=O ZINC000765611172 1071574640 /nfs/dbraw/zinc/57/46/40/1071574640.db2.gz ZVVURMFXLKDLOA-UHFFFAOYSA-N -1 0 407.412 -1.206 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765656585 1071575183 /nfs/dbraw/zinc/57/51/83/1071575183.db2.gz JDCXVKVENHFSEF-UHFFFAOYSA-N -1 0 417.469 -1.102 20 0 HAADRM O=C(CCC(=O)N1CCN(c2ncccn2)CC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000766382434 1071676784 /nfs/dbraw/zinc/67/67/84/1071676784.db2.gz MYURPMNUSYLXHX-UHFFFAOYSA-N -1 0 412.472 -1.401 20 0 HAADRM COCCN(C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000766399178 1071676856 /nfs/dbraw/zinc/67/68/56/1071676856.db2.gz JGXCLYYDXFBUOC-UHFFFAOYSA-N -1 0 414.488 -1.155 20 0 HAADRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)[N-]S(=O)(=O)CC(N)=O)CC2)cc1 ZINC000766908575 1071680918 /nfs/dbraw/zinc/68/09/18/1071680918.db2.gz CEVDZVKFOZGCPM-UHFFFAOYSA-N -1 0 418.497 -1.767 20 0 HAADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766909476 1071680804 /nfs/dbraw/zinc/68/08/04/1071680804.db2.gz IAWQGTMNBQAFJW-UHFFFAOYSA-N -1 0 421.453 -1.739 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)Cc3cccnc3)c2c(=O)n(C)c1=O ZINC000766911531 1071680964 /nfs/dbraw/zinc/68/09/64/1071680964.db2.gz XNJDZJYLHRQIKM-UHFFFAOYSA-N -1 0 406.424 -1.135 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766914595 1071681044 /nfs/dbraw/zinc/68/10/44/1071681044.db2.gz DEMXONCOJDFKFQ-UHFFFAOYSA-N -1 0 404.198 -1.024 20 0 HAADRM COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[N-]S(=O)(=O)CC(N)=O)C1=O ZINC000766915398 1071680927 /nfs/dbraw/zinc/68/09/27/1071680927.db2.gz IEWHBUYDWNGXKY-INIZCTEOSA-N -1 0 412.424 -1.298 20 0 HAADRM COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[N-]S(=O)(=O)CC(N)=O)C1=O ZINC000766915408 1071681055 /nfs/dbraw/zinc/68/10/55/1071681055.db2.gz IEWHBUYDWNGXKY-MRXNPFEDSA-N -1 0 412.424 -1.298 20 0 HAADRM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)n(C)c2)C1 ZINC000766918279 1071680834 /nfs/dbraw/zinc/68/08/34/1071680834.db2.gz XHOIOSFAJPACRQ-JTQLQIEISA-N -1 0 406.486 -1.009 20 0 HAADRM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)n(C)c2)C1 ZINC000766918280 1071681067 /nfs/dbraw/zinc/68/10/67/1071681067.db2.gz XHOIOSFAJPACRQ-SNVBAGLBSA-N -1 0 406.486 -1.009 20 0 HAADRM CN(CCCC(=O)[N-]S(=O)(=O)CC(N)=O)C1=NS(=O)(=O)c2ccccc21 ZINC000766921229 1071680942 /nfs/dbraw/zinc/68/09/42/1071680942.db2.gz IZJBAFUUAOVDQE-UHFFFAOYSA-N -1 0 402.454 -1.221 20 0 HAADRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000766921418 1071680886 /nfs/dbraw/zinc/68/08/86/1071680886.db2.gz JQWNNUHYXBMCSH-UHFFFAOYSA-N -1 0 405.454 -1.439 20 0 HAADRM CCc1ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000766921889 1071681641 /nfs/dbraw/zinc/68/16/41/1071681641.db2.gz DLEGRAUJIGQSIL-UHFFFAOYSA-N -1 0 419.481 -1.185 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000766924433 1071681695 /nfs/dbraw/zinc/68/16/95/1071681695.db2.gz UHVPGKGZJCWFKA-UHFFFAOYSA-N -1 0 414.465 -1.221 20 0 HAADRM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000766924760 1071681770 /nfs/dbraw/zinc/68/17/70/1071681770.db2.gz OEHVOWJPSLIZQY-UHFFFAOYSA-N -1 0 405.454 -1.439 20 0 HAADRM COc1cc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc(OC)c1OC ZINC000766925565 1071681654 /nfs/dbraw/zinc/68/16/54/1071681654.db2.gz CIRNLRONVWUXEO-SECBINFHSA-N -1 0 415.424 -1.003 20 0 HAADRM COc1cc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc(OC)c1OC ZINC000766925566 1071681567 /nfs/dbraw/zinc/68/15/67/1071681567.db2.gz CIRNLRONVWUXEO-VIFPVBQESA-N -1 0 415.424 -1.003 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000766927153 1071681591 /nfs/dbraw/zinc/68/15/91/1071681591.db2.gz MGGYPCXURIVUHA-UHFFFAOYSA-N -1 0 406.438 -1.057 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000766927751 1071681660 /nfs/dbraw/zinc/68/16/60/1071681660.db2.gz XWTRBXPQCTVREX-DMTLFAOVSA-N -1 0 408.436 -1.279 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000766927752 1071681709 /nfs/dbraw/zinc/68/17/09/1071681709.db2.gz XWTRBXPQCTVREX-LJLILKBBSA-N -1 0 408.436 -1.279 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000766927753 1071681717 /nfs/dbraw/zinc/68/17/17/1071681717.db2.gz XWTRBXPQCTVREX-OQHXTRMZSA-N -1 0 408.436 -1.279 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000766927754 1071681701 /nfs/dbraw/zinc/68/17/01/1071681701.db2.gz XWTRBXPQCTVREX-UJZCVKTISA-N -1 0 408.436 -1.279 20 0 HAADRM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766927850 1071681666 /nfs/dbraw/zinc/68/16/66/1071681666.db2.gz BGMLBTDFJFVLFA-JTQLQIEISA-N -1 0 408.458 -1.377 20 0 HAADRM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)C1 ZINC000766927851 1071681723 /nfs/dbraw/zinc/68/17/23/1071681723.db2.gz BGMLBTDFJFVLFA-SNVBAGLBSA-N -1 0 408.458 -1.377 20 0 HAADRM NC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766928988 1071681749 /nfs/dbraw/zinc/68/17/49/1071681749.db2.gz YTRBHQUBLREDSV-UHFFFAOYSA-N -1 0 419.481 -1.429 20 0 HAADRM COCCCCS(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000766973896 1071681598 /nfs/dbraw/zinc/68/15/98/1071681598.db2.gz APCZYOVJLIHOBW-UHFFFAOYSA-N -1 0 401.445 -1.304 20 0 HAADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000767499198 1071682266 /nfs/dbraw/zinc/68/22/66/1071682266.db2.gz SSYULLMETFREQH-UHFFFAOYSA-N -1 0 409.428 -1.284 20 0 HAADRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000767506498 1071682332 /nfs/dbraw/zinc/68/23/32/1071682332.db2.gz ILXYTKOMFDPFNY-UHFFFAOYSA-N -1 0 409.428 -1.284 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2scnc2C(=O)OC)C(=O)C1=O ZINC000768029178 1071683404 /nfs/dbraw/zinc/68/34/04/1071683404.db2.gz YLRKOLHSPCKHGY-UHFFFAOYSA-N -1 0 404.426 -1.575 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000768211926 1071684013 /nfs/dbraw/zinc/68/40/13/1071684013.db2.gz ICEGSDOQNGXBSD-UHFFFAOYSA-N -1 0 403.417 -2.457 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000768217800 1071684107 /nfs/dbraw/zinc/68/41/07/1071684107.db2.gz VODJNDYLJGTVPS-UHFFFAOYSA-N -1 0 414.440 -1.337 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000768218145 1071684030 /nfs/dbraw/zinc/68/40/30/1071684030.db2.gz XXCLAMXLOITBMV-UHFFFAOYSA-N -1 0 417.444 -2.067 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000768218799 1071684182 /nfs/dbraw/zinc/68/41/82/1071684182.db2.gz INNDRVUWBJFMRF-UHFFFAOYSA-N -1 0 403.417 -2.457 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000768218865 1071684098 /nfs/dbraw/zinc/68/40/98/1071684098.db2.gz KYCLNUXDIJVQAB-UHFFFAOYSA-N -1 0 406.438 -1.060 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000768220488 1071684066 /nfs/dbraw/zinc/68/40/66/1071684066.db2.gz SXHGKOZEXQRHDX-UHFFFAOYSA-N -1 0 400.413 -1.645 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000768221217 1071684135 /nfs/dbraw/zinc/68/41/35/1071684135.db2.gz XKNXCYKBRMVEIO-UHFFFAOYSA-N -1 0 400.413 -1.645 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NC[C@@H](C)S(N)(=O)=O)n2c(NCC)n1 ZINC000768596178 1071684664 /nfs/dbraw/zinc/68/46/64/1071684664.db2.gz SBSUHKOHICLBRN-MRVPVSSYSA-N -1 0 417.521 -1.310 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NC[C@H](C)S(N)(=O)=O)n2c(NCC)n1 ZINC000768596183 1071684449 /nfs/dbraw/zinc/68/44/49/1071684449.db2.gz SBSUHKOHICLBRN-QMMMGPOBSA-N -1 0 417.521 -1.310 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)nc1C ZINC000770202206 1071687070 /nfs/dbraw/zinc/68/70/70/1071687070.db2.gz SFZZPEVPBGFKNK-UHFFFAOYSA-N -1 0 409.428 -1.536 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C ZINC000770205069 1071687143 /nfs/dbraw/zinc/68/71/43/1071687143.db2.gz GGKWSCDPMVTHBW-UHFFFAOYSA-N -1 0 409.428 -1.536 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C ZINC000770205586 1071687137 /nfs/dbraw/zinc/68/71/37/1071687137.db2.gz CQVFZRIIUYIHDT-UHFFFAOYSA-N -1 0 423.455 -1.146 20 0 HAADRM COc1nc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(=O)[n-]1 ZINC000770516562 1071687041 /nfs/dbraw/zinc/68/70/41/1071687041.db2.gz WQTWXUFFOATRPI-LLVKDONJSA-N -1 0 414.440 -1.321 20 0 HAADRM COc1nc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(=O)[n-]1 ZINC000770516563 1071687638 /nfs/dbraw/zinc/68/76/38/1071687638.db2.gz WQTWXUFFOATRPI-NSHDSACASA-N -1 0 414.440 -1.321 20 0 HAADRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000770834466 1071687748 /nfs/dbraw/zinc/68/77/48/1071687748.db2.gz MZMRDCXHHSUPRG-UHFFFAOYSA-N -1 0 415.453 -1.112 20 0 HAADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000770895412 1071688510 /nfs/dbraw/zinc/68/85/10/1071688510.db2.gz VGXRVCUQWFREJP-SECBINFHSA-N -1 0 402.433 -1.168 20 0 HAADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000770895418 1071688318 /nfs/dbraw/zinc/68/83/18/1071688318.db2.gz VGXRVCUQWFREJP-VIFPVBQESA-N -1 0 402.433 -1.168 20 0 HAADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1 ZINC000771331440 1071688390 /nfs/dbraw/zinc/68/83/90/1071688390.db2.gz QDXMQKHAYSQEHO-CYBMUJFWSA-N -1 0 423.455 -1.220 20 0 HAADRM CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000771331530 1071688417 /nfs/dbraw/zinc/68/84/17/1071688417.db2.gz QDXMQKHAYSQEHO-ZDUSSCGKSA-N -1 0 423.455 -1.220 20 0 HAADRM CN(CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)S(C)(=O)=O ZINC000771372769 1071688506 /nfs/dbraw/zinc/68/85/06/1071688506.db2.gz JRHIAQOPZUDFMB-UHFFFAOYSA-N -1 0 413.861 -1.100 20 0 HAADRM Cn1nnnc1CCNC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000772467672 1071690000 /nfs/dbraw/zinc/69/00/00/1071690000.db2.gz AZOLCRKKSKJMKU-UHFFFAOYSA-N -1 0 424.267 -1.023 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CCC(=O)NC3=O)n2c(NCC)n1 ZINC000772715897 1071698261 /nfs/dbraw/zinc/69/82/61/1071698261.db2.gz CMOJJJDUVJJVEZ-MRVPVSSYSA-N -1 0 407.460 -1.182 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CCC(=O)NC3=O)n2c(NCC)n1 ZINC000772715907 1071698060 /nfs/dbraw/zinc/69/80/60/1071698060.db2.gz CMOJJJDUVJJVEZ-QMMMGPOBSA-N -1 0 407.460 -1.182 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NCCc3nnnn3C)n2c(NCC)n1 ZINC000772877724 1071735939 /nfs/dbraw/zinc/73/59/39/1071735939.db2.gz SLQYHQZRJOCPLG-UHFFFAOYSA-N -1 0 406.480 -1.221 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N3CCC(O)(C(N)=O)CC3)n2c(NCC)n1 ZINC000773569550 1071786346 /nfs/dbraw/zinc/78/63/46/1071786346.db2.gz WWOIMVZODQKIJO-UHFFFAOYSA-N -1 0 423.503 -1.264 20 0 HAADRM CCOCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000773629035 1071788413 /nfs/dbraw/zinc/78/84/13/1071788413.db2.gz QDLVNIIPFADSPM-UHFFFAOYSA-N -1 0 414.440 -1.170 20 0 HAADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3CC(=O)N(C)C(=O)C3)n21 ZINC000773674996 1071789622 /nfs/dbraw/zinc/78/96/22/1071789622.db2.gz LFMAJKIWDBVZDW-UHFFFAOYSA-N -1 0 407.460 -1.276 20 0 HAADRM CS(=O)(=O)N(c1ccc(OCCNC(=O)c2cc(=O)[nH][n-]2)cc1)S(C)(=O)=O ZINC000774351423 1071813608 /nfs/dbraw/zinc/81/36/08/1071813608.db2.gz OYJLEBTVSXPEIU-UHFFFAOYSA-N -1 0 418.453 -1.217 20 0 HAADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)CN3CCCS3(=O)=O)cc2n(C)c1=O ZINC000774919966 1071833744 /nfs/dbraw/zinc/83/37/44/1071833744.db2.gz OOBOQSWVAHDXTK-UHFFFAOYSA-N -1 0 402.454 -1.283 20 0 HAADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)Cn3ccc(=O)n(C)c3=O)cc2n(C)c1=O ZINC000774920556 1071833859 /nfs/dbraw/zinc/83/38/59/1071833859.db2.gz QHOZCKUVRUQHCH-UHFFFAOYSA-N -1 0 407.408 -1.758 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C(=O)C1=O ZINC000774921956 1071834565 /nfs/dbraw/zinc/83/45/65/1071834565.db2.gz GEPZLTPLWKEFTQ-UHFFFAOYSA-N -1 0 423.451 -1.627 20 0 HAADRM Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3cn(C)c(=O)n(C)c3=O)cc2n(C)c1=O ZINC000774922116 1071833798 /nfs/dbraw/zinc/83/37/98/1071833798.db2.gz HQRXGVWHPDRTJV-UHFFFAOYSA-N -1 0 407.408 -1.607 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nn1 ZINC000774929447 1071834305 /nfs/dbraw/zinc/83/43/05/1071834305.db2.gz MUKGTWPQGBVDNE-UHFFFAOYSA-N -1 0 421.439 -1.325 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2c(=O)n(C)c1=O ZINC000775309357 1071864858 /nfs/dbraw/zinc/86/48/58/1071864858.db2.gz YOLXFPXAEHSJHP-UHFFFAOYSA-N -1 0 421.391 -1.333 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1ccc3c(c1)OCO3)c(=O)n2C ZINC000775310904 1071864529 /nfs/dbraw/zinc/86/45/29/1071864529.db2.gz RGTRZBGQEAYVIK-UHFFFAOYSA-N -1 0 421.391 -1.333 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3ccc4c(c3)COC4)c2c(=O)n(C)c1=O ZINC000776124871 1071895645 /nfs/dbraw/zinc/89/56/45/1071895645.db2.gz BSMFDZZKHYEOOW-UHFFFAOYSA-N -1 0 419.419 -1.031 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1ccc3c(c1)COC3)c(=O)n2C ZINC000776134480 1071896591 /nfs/dbraw/zinc/89/65/91/1071896591.db2.gz XBESUHFCZNTFBF-UHFFFAOYSA-N -1 0 419.419 -1.031 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NN3CC(=O)N(C)C3=O)n2c(NCC)n1 ZINC000776245313 1071898071 /nfs/dbraw/zinc/89/80/71/1071898071.db2.gz VVOVNSXXSHVBDQ-UHFFFAOYSA-N -1 0 408.448 -1.178 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NCC(=O)N3CCOCC3)n2c(NCC)n1 ZINC000776501270 1071899878 /nfs/dbraw/zinc/89/98/78/1071899878.db2.gz RNRNCYYFUYFIHG-UHFFFAOYSA-N -1 0 423.503 -1.128 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)CC1 ZINC000776599449 1071899698 /nfs/dbraw/zinc/89/96/98/1071899698.db2.gz PAHJBESNXMFYJN-CHWSQXEVSA-N -1 0 407.470 -1.415 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)CC1 ZINC000776599457 1071899866 /nfs/dbraw/zinc/89/98/66/1071899866.db2.gz PAHJBESNXMFYJN-OLZOCXBDSA-N -1 0 407.470 -1.415 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c2ccccc2)CC1 ZINC000776599459 1071899776 /nfs/dbraw/zinc/89/97/76/1071899776.db2.gz PAHJBESNXMFYJN-QWHCGFSZSA-N -1 0 407.470 -1.415 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c2ccccc2)CC1 ZINC000776599461 1071899717 /nfs/dbraw/zinc/89/97/17/1071899717.db2.gz PAHJBESNXMFYJN-STQMWFEESA-N -1 0 407.470 -1.415 20 0 HAADRM CS(=O)(=O)CCS(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000776667350 1071900426 /nfs/dbraw/zinc/90/04/26/1071900426.db2.gz BATWFMHRELIXKH-GFCCVEGCSA-N -1 0 411.502 -1.105 20 0 HAADRM CS(=O)(=O)CCS(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000776667351 1071900511 /nfs/dbraw/zinc/90/05/11/1071900511.db2.gz BATWFMHRELIXKH-LBPRGKRZSA-N -1 0 411.502 -1.105 20 0 HAADRM CS(=O)(=O)CCS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000776667430 1071900501 /nfs/dbraw/zinc/90/05/01/1071900501.db2.gz GORQORPMNDROTB-UHFFFAOYSA-N -1 0 411.502 -1.105 20 0 HAADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])CC1 ZINC000776708704 1071900327 /nfs/dbraw/zinc/90/03/27/1071900327.db2.gz VRZZWXHUJZOUIB-LLVKDONJSA-N -1 0 413.474 -1.421 20 0 HAADRM CCOC(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])CC1 ZINC000776708707 1071900300 /nfs/dbraw/zinc/90/03/00/1071900300.db2.gz VRZZWXHUJZOUIB-NSHDSACASA-N -1 0 413.474 -1.421 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CC1 ZINC000776715671 1071900247 /nfs/dbraw/zinc/90/02/47/1071900247.db2.gz MGMMDADZKXNGTM-UHFFFAOYSA-N -1 0 410.474 -1.496 20 0 HAADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc1 ZINC000777345384 1071906385 /nfs/dbraw/zinc/90/63/85/1071906385.db2.gz PQRWXWNMHAPGTK-AWEZNQCLSA-N -1 0 410.452 -1.022 20 0 HAADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc1 ZINC000777345389 1071906355 /nfs/dbraw/zinc/90/63/55/1071906355.db2.gz PQRWXWNMHAPGTK-CQSZACIVSA-N -1 0 410.452 -1.022 20 0 HAADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000777351319 1071906528 /nfs/dbraw/zinc/90/65/28/1071906528.db2.gz MRPPDOXFQAAMEP-RMKNXTFCSA-N -1 0 406.420 -1.038 20 0 HAADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000777351320 1071906486 /nfs/dbraw/zinc/90/64/86/1071906486.db2.gz MRPPDOXFQAAMEP-TWGQIWQCSA-N -1 0 406.420 -1.038 20 0 HAADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000777362124 1071906530 /nfs/dbraw/zinc/90/65/30/1071906530.db2.gz DOIXWWOZFZAZEV-JTQLQIEISA-N -1 0 406.461 -1.177 20 0 HAADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)[N-]S(=O)(=O)CC(N)=O ZINC000777362128 1071906338 /nfs/dbraw/zinc/90/63/38/1071906338.db2.gz DOIXWWOZFZAZEV-SNVBAGLBSA-N -1 0 406.461 -1.177 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000778597365 1072007380 /nfs/dbraw/zinc/00/73/80/1072007380.db2.gz ZAAPLWUPJYSYIQ-UHFFFAOYSA-N -1 0 419.481 -1.160 20 0 HAADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000778619108 1072008014 /nfs/dbraw/zinc/00/80/14/1072008014.db2.gz UANUZWGVXOQYHC-UHFFFAOYSA-N -1 0 419.481 -1.145 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000778621716 1072008093 /nfs/dbraw/zinc/00/80/93/1072008093.db2.gz GRUZGGLMSFSVFG-UHFFFAOYSA-N -1 0 416.525 -1.017 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)CC1 ZINC000778623869 1072008061 /nfs/dbraw/zinc/00/80/61/1072008061.db2.gz NIFZVROTLBKXIV-UHFFFAOYSA-N -1 0 402.498 -1.013 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)s2)CC1 ZINC000778638593 1072008363 /nfs/dbraw/zinc/00/83/63/1072008363.db2.gz CJVNPZGPJHLRLZ-UHFFFAOYSA-N -1 0 410.499 -1.771 20 0 HAADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1C(N)=O ZINC000778639547 1072009054 /nfs/dbraw/zinc/00/90/54/1072009054.db2.gz LGWRCLIEYOCEBO-UHFFFAOYSA-N -1 0 418.497 -1.524 20 0 HAADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000778695661 1072012199 /nfs/dbraw/zinc/01/21/99/1072012199.db2.gz YGVMBQRWRFLFQX-UHFFFAOYSA-N -1 0 421.545 -1.073 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000778706825 1072012798 /nfs/dbraw/zinc/01/27/98/1072012798.db2.gz YTHGYMMPHFVMOK-UHFFFAOYSA-N -1 0 405.454 -1.203 20 0 HAADRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000778707289 1072012675 /nfs/dbraw/zinc/01/26/75/1072012675.db2.gz OFNJRFNZPJOXRU-UHFFFAOYSA-N -1 0 418.497 -1.572 20 0 HAADRM Cn1cnn(CC(=O)NCCN=c2ncnc3n(C)[n-]c(Br)c2-3)c1=O ZINC000778708830 1072012841 /nfs/dbraw/zinc/01/28/41/1072012841.db2.gz WSGRMUGDWAIYJE-UHFFFAOYSA-N -1 0 410.236 -1.377 20 0 HAADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)cn1 ZINC000778711041 1072013342 /nfs/dbraw/zinc/01/33/42/1072013342.db2.gz BSTFXABZWAXLOB-UHFFFAOYSA-N -1 0 406.486 -1.138 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)CC1 ZINC000778711931 1072013817 /nfs/dbraw/zinc/01/38/17/1072013817.db2.gz ZXYFJUMBVNSBQI-UHFFFAOYSA-N -1 0 405.395 -1.198 20 0 HAADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000778712395 1072013767 /nfs/dbraw/zinc/01/37/67/1072013767.db2.gz NPOBGSPBTJWBCE-UHFFFAOYSA-N -1 0 407.518 -1.079 20 0 HAADRM COc1c(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(C)nn1C ZINC000778850470 1072022329 /nfs/dbraw/zinc/02/23/29/1072022329.db2.gz VAHFXACCRZNWOX-UHFFFAOYSA-N -1 0 422.423 -1.199 20 0 HAADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(C)nn1C ZINC000778859790 1072022828 /nfs/dbraw/zinc/02/28/28/1072022828.db2.gz PTHQIVFXRSWOIQ-UHFFFAOYSA-N -1 0 422.423 -1.199 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000778903378 1072025987 /nfs/dbraw/zinc/02/59/87/1072025987.db2.gz OTEQYPGYGMDNIC-UHFFFAOYSA-N -1 0 415.444 -1.470 20 0 HAADRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n(C)c1 ZINC000779189531 1072039536 /nfs/dbraw/zinc/03/95/36/1072039536.db2.gz WIOBSHCDXRZGFY-UHFFFAOYSA-N -1 0 417.469 -1.169 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000779584023 1072040490 /nfs/dbraw/zinc/04/04/90/1072040490.db2.gz PYCINQUUKWKDAS-GFCCVEGCSA-N -1 0 410.456 -1.276 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000779584040 1072040578 /nfs/dbraw/zinc/04/05/78/1072040578.db2.gz PYCINQUUKWKDAS-LBPRGKRZSA-N -1 0 410.456 -1.276 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C1=O ZINC000780624761 1072100421 /nfs/dbraw/zinc/10/04/21/1072100421.db2.gz OHLMRGMEGYQNEQ-UHFFFAOYSA-N -1 0 410.452 -1.116 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NCCN3CCNC(=O)C3)n2c(NCC)n1 ZINC000781412051 1072101698 /nfs/dbraw/zinc/10/16/98/1072101698.db2.gz LJCQFQJFXVTUCS-UHFFFAOYSA-N -1 0 422.519 -1.555 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3cnn(CC4CC4)c3)c2c(=O)n(C)c1=O ZINC000781724825 1072101638 /nfs/dbraw/zinc/10/16/38/1072101638.db2.gz DZJLPWZWXZHRRU-UHFFFAOYSA-N -1 0 421.439 -1.455 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1cnn(CC3CC3)c1)c(=O)n2C ZINC000781725692 1072101668 /nfs/dbraw/zinc/10/16/68/1072101668.db2.gz BHZIEFUQYYRFCW-UHFFFAOYSA-N -1 0 421.439 -1.455 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)CC1 ZINC000781726000 1072101614 /nfs/dbraw/zinc/10/16/14/1072101614.db2.gz PIVXVEDTRZDMPF-UHFFFAOYSA-N -1 0 405.502 -1.325 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000781730245 1072102345 /nfs/dbraw/zinc/10/23/45/1072102345.db2.gz WXDUZXJRZSKXQP-UHFFFAOYSA-N -1 0 415.453 -1.045 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000781731389 1072102270 /nfs/dbraw/zinc/10/22/70/1072102270.db2.gz CNCOFCYJFGLQMU-UHFFFAOYSA-N -1 0 420.498 -1.001 20 0 HAADRM CC(=O)NCC(=O)N1CCc2cc(C(=O)[N-]S(=O)(=O)c3cnnn3C)ccc21 ZINC000781732904 1072102394 /nfs/dbraw/zinc/10/23/94/1072102394.db2.gz UOIAHHZQPQBMRF-UHFFFAOYSA-N -1 0 406.424 -1.041 20 0 HAADRM CCc1c(C(=O)[N-]S(=O)(=O)c2cnnn2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000781733537 1072102300 /nfs/dbraw/zinc/10/23/00/1072102300.db2.gz AIGNFCTVCACTGK-UHFFFAOYSA-N -1 0 407.412 -1.558 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000781736024 1072102403 /nfs/dbraw/zinc/10/24/03/1072102403.db2.gz BOTJWMKHNMZVRU-UHFFFAOYSA-N -1 0 404.408 -1.308 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000781736070 1072102382 /nfs/dbraw/zinc/10/23/82/1072102382.db2.gz DLHKCZOXJJAFJM-UHFFFAOYSA-N -1 0 418.457 -1.707 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000781740015 1072102365 /nfs/dbraw/zinc/10/23/65/1072102365.db2.gz KMGUSPGSJAITBQ-UHFFFAOYSA-N -1 0 415.453 -1.045 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000781740565 1072102387 /nfs/dbraw/zinc/10/23/87/1072102387.db2.gz QHJXMTMNODNCLW-UHFFFAOYSA-N -1 0 415.453 -1.045 20 0 HAADRM Cn1nncc1S(=O)(=O)[N-]C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000781741921 1072102399 /nfs/dbraw/zinc/10/23/99/1072102399.db2.gz PAMOCMDHXVUGIT-UHFFFAOYSA-N -1 0 402.433 -1.301 20 0 HAADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000781855581 1072102376 /nfs/dbraw/zinc/10/23/76/1072102376.db2.gz RCIQHIFDUSCMHL-UHFFFAOYSA-N -1 0 422.423 -1.268 20 0 HAADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cn1 ZINC000781861708 1072102407 /nfs/dbraw/zinc/10/24/07/1072102407.db2.gz HPCVYYOPFOGOPT-UHFFFAOYSA-N -1 0 422.423 -1.268 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N3CCO[C@H](C(=O)NC)C3)n2c(NCC)n1 ZINC000782087462 1072102820 /nfs/dbraw/zinc/10/28/20/1072102820.db2.gz GMONGWVIWLNXKE-JTQLQIEISA-N -1 0 423.503 -1.130 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N3CCO[C@@H](C(=O)NC)C3)n2c(NCC)n1 ZINC000782087472 1072102735 /nfs/dbraw/zinc/10/27/35/1072102735.db2.gz GMONGWVIWLNXKE-SNVBAGLBSA-N -1 0 423.503 -1.130 20 0 HAADRM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000782131308 1072103353 /nfs/dbraw/zinc/10/33/53/1072103353.db2.gz XZXIIMZFAXQPFF-UHFFFAOYSA-N -1 0 418.453 -1.205 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3ccnc(Cl)c3)c2c(=O)n(C)c1=O ZINC000782632806 1072104051 /nfs/dbraw/zinc/10/40/51/1072104051.db2.gz TTXOKQFBOVBTCW-UHFFFAOYSA-N -1 0 412.815 -1.013 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1)c(=O)n2C ZINC000782640209 1072104116 /nfs/dbraw/zinc/10/41/16/1072104116.db2.gz MLZRAUVQZYQYDX-UHFFFAOYSA-N -1 0 412.815 -1.013 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)c(=O)n2C ZINC000782646496 1070895698 /nfs/dbraw/zinc/89/56/98/1070895698.db2.gz OTUFILJXRSVSLT-UHFFFAOYSA-N -1 0 421.332 -1.328 20 0 HAADRM Cn1c2ncn(CC(=O)OCCOCC[N-]C(=O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000782647063 1072104100 /nfs/dbraw/zinc/10/41/00/1072104100.db2.gz OWMAAFCBHXWGTB-UHFFFAOYSA-N -1 0 421.332 -1.328 20 0 HAADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000782693938 1072104015 /nfs/dbraw/zinc/10/40/15/1072104015.db2.gz AXAKSSFYYWWLAZ-UHFFFAOYSA-N -1 0 423.455 -1.209 20 0 HAADRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000782702035 1072104547 /nfs/dbraw/zinc/10/45/47/1072104547.db2.gz IIXTZHVCFYDPES-UHFFFAOYSA-N -1 0 423.455 -1.209 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)NCCS(=O)(=O)NC)n2c(NCC)n1 ZINC000784705177 1072105832 /nfs/dbraw/zinc/10/58/32/1072105832.db2.gz UJPMFXWTJXJHMU-UHFFFAOYSA-N -1 0 417.521 -1.438 20 0 HAADRM CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)[N-]OCC(N)=O)c2)CC1 ZINC000785383893 1070935584 /nfs/dbraw/zinc/93/55/84/1070935584.db2.gz FXAXKMCOEKBTEX-UHFFFAOYSA-N -1 0 413.456 -1.516 20 0 HAADRM C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)C[C@@H](C)O1 ZINC000785387891 1070939229 /nfs/dbraw/zinc/93/92/29/1070939229.db2.gz JKKDPHMTNWRRNK-GHMZBOCLSA-N -1 0 414.440 -1.044 20 0 HAADRM C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)C[C@H](C)O1 ZINC000785387895 1070939324 /nfs/dbraw/zinc/93/93/24/1070939324.db2.gz JKKDPHMTNWRRNK-PHIMTYICSA-N -1 0 414.440 -1.044 20 0 HAADRM C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)[N-]OCC(N)=O)cc2)C[C@H](C)O1 ZINC000785387898 1070939367 /nfs/dbraw/zinc/93/93/67/1070939367.db2.gz JKKDPHMTNWRRNK-QWRGUYRKSA-N -1 0 414.440 -1.044 20 0 HAADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)c3cn(C)c(=O)n(C)c3=O)cc2C1=O ZINC000785962480 1071691297 /nfs/dbraw/zinc/69/12/97/1071691297.db2.gz ATZRKNMLARHLJO-UHFFFAOYSA-N -1 0 406.376 -1.572 20 0 HAADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CN3CCCS3(=O)=O)cc2C1=O ZINC000785963369 1071691316 /nfs/dbraw/zinc/69/13/16/1071691316.db2.gz TWGOQQOUWXHRNX-UHFFFAOYSA-N -1 0 401.422 -1.247 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C(=O)C1=O ZINC000785963411 1071691254 /nfs/dbraw/zinc/69/12/54/1071691254.db2.gz TXUPKCZHTSXFQM-UHFFFAOYSA-N -1 0 422.419 -1.592 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nn1 ZINC000785965194 1071691281 /nfs/dbraw/zinc/69/12/81/1071691281.db2.gz RHLMYRGYCBFTEO-UHFFFAOYSA-N -1 0 420.407 -1.289 20 0 HAADRM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)Cn3ccc(=O)n(C)c3=O)cc2C1=O ZINC000785966736 1071691225 /nfs/dbraw/zinc/69/12/25/1071691225.db2.gz DNKFKDGVTAXPEI-UHFFFAOYSA-N -1 0 406.376 -1.722 20 0 HAADRM Cn1nnc(CNC(=O)NCCN=c2ncnc3n(C)[n-]c(Br)c2-3)n1 ZINC000787199059 1071695717 /nfs/dbraw/zinc/69/57/17/1071695717.db2.gz IKSFRZMMUYLSQO-UHFFFAOYSA-N -1 0 410.240 -1.066 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N3CC[C@@](O)(C(N)=O)C3)n2c(NCC)n1 ZINC000787975571 1071696931 /nfs/dbraw/zinc/69/69/31/1071696931.db2.gz QNCUUNXSOKUMEG-HNNXBMFYSA-N -1 0 409.476 -1.654 20 0 HAADRM CCN=c1nc2[n-]nc(SCC(=O)N3CC[C@](O)(C(N)=O)C3)n2c(NCC)n1 ZINC000787975572 1071697594 /nfs/dbraw/zinc/69/75/94/1071697594.db2.gz QNCUUNXSOKUMEG-OAHLLOKOSA-N -1 0 409.476 -1.654 20 0 HAADRM COCCO[N-]C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000788049154 1071697432 /nfs/dbraw/zinc/69/74/32/1071697432.db2.gz FMHDGDIUMMFHCF-UHFFFAOYSA-N -1 0 415.472 -1.656 20 0 HAADRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2cn(CC(=O)N(C)C)nn2)s1 ZINC000788069598 1071697563 /nfs/dbraw/zinc/69/75/63/1071697563.db2.gz OROJYNPUHZRQDD-UHFFFAOYSA-N -1 0 401.430 -1.100 20 0 HAADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000788177318 1071697408 /nfs/dbraw/zinc/69/74/08/1071697408.db2.gz RSZMEGMPTCEWED-JTQLQIEISA-N -1 0 407.470 -1.056 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000788178378 1071697605 /nfs/dbraw/zinc/69/76/05/1071697605.db2.gz VWWWPBKTZYUZLX-UHFFFAOYSA-N -1 0 419.481 -1.097 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000788178465 1071698226 /nfs/dbraw/zinc/69/82/26/1071698226.db2.gz XEVFAFYZEXUZIS-UHFFFAOYSA-N -1 0 419.481 -1.097 20 0 HAADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788179188 1071698239 /nfs/dbraw/zinc/69/82/39/1071698239.db2.gz ZLBRFWWXYVHTAF-SECBINFHSA-N -1 0 409.490 -1.714 20 0 HAADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000788179196 1071698188 /nfs/dbraw/zinc/69/81/88/1071698188.db2.gz ZLBRFWWXYVHTAF-VIFPVBQESA-N -1 0 409.490 -1.714 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)cc1C(N)=O ZINC000789389830 1071700339 /nfs/dbraw/zinc/70/03/39/1071700339.db2.gz ODVASDDBNZPTIP-UHFFFAOYSA-N -1 0 422.423 -1.868 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789435700 1071700470 /nfs/dbraw/zinc/70/04/70/1071700470.db2.gz KPQVJIUZJUHUBZ-UHFFFAOYSA-N -1 0 400.413 -1.412 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000789453196 1071700445 /nfs/dbraw/zinc/70/04/45/1071700445.db2.gz OAKZDJPGWKEIHU-UHFFFAOYSA-N -1 0 402.429 -1.702 20 0 HAADRM COc1c(S(=O)(=O)[N-]C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)c(C)nn1C ZINC000789483154 1071700425 /nfs/dbraw/zinc/70/04/25/1071700425.db2.gz AYKOUGUIGFGYPQ-UHFFFAOYSA-N -1 0 424.439 -1.255 20 0 HAADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000789791330 1071700534 /nfs/dbraw/zinc/70/05/34/1071700534.db2.gz NWCPPTMTLXBVPD-UHFFFAOYSA-N -1 0 413.437 -1.351 20 0 HAADRM O=C([N-]S(=O)(=O)c1cc[nH]n1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000789792179 1071700515 /nfs/dbraw/zinc/70/05/15/1071700515.db2.gz ZISDICDKGSVOLN-UHFFFAOYSA-N -1 0 413.437 -1.351 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)CN3CCOCC3=O)ncnc1-2 ZINC000790653802 1071701512 /nfs/dbraw/zinc/70/15/12/1071701512.db2.gz QVOZPYUPABCERY-UHFFFAOYSA-N -1 0 412.248 -1.114 20 0 HAADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000790785113 1071702936 /nfs/dbraw/zinc/70/29/36/1071702936.db2.gz SVLCYHDKVLJGFS-UHFFFAOYSA-N -1 0 408.429 -1.096 20 0 HAADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CN2CCOCC2=O)cc1F ZINC000790785352 1071702985 /nfs/dbraw/zinc/70/29/85/1071702985.db2.gz NRQINNNIIOTUKZ-UHFFFAOYSA-N -1 0 409.417 -1.139 20 0 HAADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)CN1CCOCC1=O ZINC000790792519 1071703098 /nfs/dbraw/zinc/70/30/98/1071703098.db2.gz FSCCWSJBNXRWSI-UHFFFAOYSA-N -1 0 405.816 -1.132 20 0 HAADRM O=C(CN1CCOCC1=O)[N-]S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000790792556 1071703058 /nfs/dbraw/zinc/70/30/58/1071703058.db2.gz FWGSRJNUSRDIAT-UHFFFAOYSA-N -1 0 409.420 -1.023 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)c3ncccc3F)c2c(=O)n(C)c1=O ZINC000791947499 1071703590 /nfs/dbraw/zinc/70/35/90/1071703590.db2.gz MAMCOQZZDSETNJ-UHFFFAOYSA-N -1 0 410.387 -1.137 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)Cc3ccccn3)c2c(=O)n(C)c1=O ZINC000793313518 1071703981 /nfs/dbraw/zinc/70/39/81/1071703981.db2.gz FXUQBEDWLZGASJ-UHFFFAOYSA-N -1 0 406.424 -1.135 20 0 HAADRM COc1ccccc1CO[N-]C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000793744352 1071706099 /nfs/dbraw/zinc/70/60/99/1071706099.db2.gz QAJCCZOAKGJLPS-UHFFFAOYSA-N -1 0 414.484 -1.064 20 0 HAADRM COc1ccc(S(=O)(=O)N[C@@H](CO)C(N)=O)c([N-]S(=O)(=O)C(F)F)c1 ZINC000796061354 1072045956 /nfs/dbraw/zinc/04/59/56/1072045956.db2.gz LDTPCWDQOHOLSV-QMMMGPOBSA-N -1 0 403.385 -1.216 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1 ZINC000796883537 1072106373 /nfs/dbraw/zinc/10/63/73/1072106373.db2.gz UKCOZRSJFWCWAR-UHFFFAOYSA-N -1 0 403.442 -1.112 20 0 HAADRM Cn1c2ncn(CC(=O)[N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2c(=O)n(C)c1=O ZINC000797255070 1072106418 /nfs/dbraw/zinc/10/64/18/1072106418.db2.gz GAQIQEKTGAACTR-UHFFFAOYSA-N -1 0 419.419 -1.126 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1ccc3c(c1)CCO3)c(=O)n2C ZINC000797259579 1072106407 /nfs/dbraw/zinc/10/64/07/1072106407.db2.gz RXXODGUYZUVHJL-UHFFFAOYSA-N -1 0 419.419 -1.126 20 0 HAADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000797285673 1072106365 /nfs/dbraw/zinc/10/63/65/1072106365.db2.gz VKVINMHZOBBICJ-GFCCVEGCSA-N -1 0 413.456 -1.087 20 0 HAADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000797285685 1072106342 /nfs/dbraw/zinc/10/63/42/1072106342.db2.gz VKVINMHZOBBICJ-LBPRGKRZSA-N -1 0 413.456 -1.087 20 0 HAADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000797289196 1072106369 /nfs/dbraw/zinc/10/63/69/1072106369.db2.gz FCQNEWOUAOGIOB-SECBINFHSA-N -1 0 410.426 -1.078 20 0 HAADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000797289197 1072107073 /nfs/dbraw/zinc/10/70/73/1072107073.db2.gz FCQNEWOUAOGIOB-VIFPVBQESA-N -1 0 410.426 -1.078 20 0 HAADRM CCc1c(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000797289222 1072106977 /nfs/dbraw/zinc/10/69/77/1072106977.db2.gz FQSLKDCYXSPQEU-MRVPVSSYSA-N -1 0 412.424 -1.184 20 0 HAADRM CCc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000797289235 1072107020 /nfs/dbraw/zinc/10/70/20/1072107020.db2.gz FQSLKDCYXSPQEU-QMMMGPOBSA-N -1 0 412.424 -1.184 20 0 HAADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000797292800 1072106987 /nfs/dbraw/zinc/10/69/87/1072106987.db2.gz UYLUJQXKRGOWQS-JTQLQIEISA-N -1 0 423.469 -1.333 20 0 HAADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000797292810 1072107096 /nfs/dbraw/zinc/10/70/96/1072107096.db2.gz UYLUJQXKRGOWQS-SNVBAGLBSA-N -1 0 423.469 -1.333 20 0 HAADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000797302080 1072106993 /nfs/dbraw/zinc/10/69/93/1072106993.db2.gz XVVUZGCXTWOYIK-JTQLQIEISA-N -1 0 422.427 -1.128 20 0 HAADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000797302091 1072107008 /nfs/dbraw/zinc/10/70/08/1072107008.db2.gz XVVUZGCXTWOYIK-SNVBAGLBSA-N -1 0 422.427 -1.128 20 0 HAADRM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000797306451 1072107084 /nfs/dbraw/zinc/10/70/84/1072107084.db2.gz UZFPINUBVRTMPC-MRVPVSSYSA-N -1 0 401.401 -2.169 20 0 HAADRM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000797306468 1072106967 /nfs/dbraw/zinc/10/69/67/1072106967.db2.gz UZFPINUBVRTMPC-QMMMGPOBSA-N -1 0 401.401 -2.169 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)NC)cc2)C(=O)C1=O ZINC000797327165 1072107048 /nfs/dbraw/zinc/10/70/48/1072107048.db2.gz AMBVWKZTXNBUJA-UHFFFAOYSA-N -1 0 410.452 -1.317 20 0 HAADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C(=O)C1 ZINC000800549240 1072061339 /nfs/dbraw/zinc/06/13/39/1072061339.db2.gz IWKBJVFJRCGLFV-UHFFFAOYSA-N -1 0 406.461 -1.352 20 0 HAADRM CCc1c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000800549610 1072061322 /nfs/dbraw/zinc/06/13/22/1072061322.db2.gz LKFOLEKNQMVYIM-UHFFFAOYSA-N -1 0 411.440 -1.610 20 0 HAADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551113 1072061165 /nfs/dbraw/zinc/06/11/65/1072061165.db2.gz PWDLYBWIJQIKMK-AWEZNQCLSA-N -1 0 404.445 -1.816 20 0 HAADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551114 1072061311 /nfs/dbraw/zinc/06/13/11/1072061311.db2.gz PWDLYBWIJQIKMK-CQSZACIVSA-N -1 0 404.445 -1.816 20 0 HAADRM CN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)C1=NS(=O)(=O)c2ccccc21 ZINC000800551173 1072061052 /nfs/dbraw/zinc/06/10/52/1072061052.db2.gz SZPKHQYUNVZPTD-UHFFFAOYSA-N -1 0 402.454 -1.351 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000800551262 1072061136 /nfs/dbraw/zinc/06/11/36/1072061136.db2.gz XNQGLQCMZQEUMP-CYBMUJFWSA-N -1 0 404.489 -1.718 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000800551263 1072061246 /nfs/dbraw/zinc/06/12/46/1072061246.db2.gz XNQGLQCMZQEUMP-ZDUSSCGKSA-N -1 0 404.489 -1.718 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H](C)O)cc1 ZINC000800551347 1072061070 /nfs/dbraw/zinc/06/10/70/1072061070.db2.gz AXVCVRCHEIAHRK-BXUZGUMPSA-N -1 0 421.497 -1.395 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H](C)O)cc1 ZINC000800551348 1072061199 /nfs/dbraw/zinc/06/11/99/1072061199.db2.gz AXVCVRCHEIAHRK-FZMZJTMJSA-N -1 0 421.497 -1.395 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H](C)O)cc1 ZINC000800551349 1072061179 /nfs/dbraw/zinc/06/11/79/1072061179.db2.gz AXVCVRCHEIAHRK-RISCZKNCSA-N -1 0 421.497 -1.395 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H](C)O)cc1 ZINC000800551350 1072061268 /nfs/dbraw/zinc/06/12/68/1072061268.db2.gz AXVCVRCHEIAHRK-SMDDNHRTSA-N -1 0 421.497 -1.395 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000800551968 1072061294 /nfs/dbraw/zinc/06/12/94/1072061294.db2.gz XLYAMBMHCYPNOD-UHFFFAOYSA-N -1 0 422.485 -1.758 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000800553503 1072061780 /nfs/dbraw/zinc/06/17/80/1072061780.db2.gz OZYNVGCLPIVJMV-UHFFFAOYSA-N -1 0 408.436 -1.360 20 0 HAADRM CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CC1 ZINC000800923332 1072061623 /nfs/dbraw/zinc/06/16/23/1072061623.db2.gz WVPYQPMSQOPMEX-CYBMUJFWSA-N -1 0 407.470 -1.070 20 0 HAADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000801612423 1072063102 /nfs/dbraw/zinc/06/31/02/1072063102.db2.gz JIAHAOUENVMREK-SRVKXCTJSA-N -1 0 415.434 -1.008 20 0 HAADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000801612435 1072062928 /nfs/dbraw/zinc/06/29/28/1072062928.db2.gz JIAHAOUENVMREK-TUAOUCFPSA-N -1 0 415.434 -1.008 20 0 HAADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000801612438 1072062782 /nfs/dbraw/zinc/06/27/82/1072062782.db2.gz JIAHAOUENVMREK-UTUOFQBUSA-N -1 0 415.434 -1.008 20 0 HAADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000801612439 1072062821 /nfs/dbraw/zinc/06/28/21/1072062821.db2.gz JIAHAOUENVMREK-WOPDTQHZSA-N -1 0 415.434 -1.008 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000802154479 1072062907 /nfs/dbraw/zinc/06/29/07/1072062907.db2.gz RFNLDJAMRVWLTE-BDAKNGLRSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000802154481 1072062992 /nfs/dbraw/zinc/06/29/92/1072062992.db2.gz RFNLDJAMRVWLTE-DTWKUNHWSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000802154482 1072063080 /nfs/dbraw/zinc/06/30/80/1072063080.db2.gz RFNLDJAMRVWLTE-IUCAKERBSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000802154484 1072063053 /nfs/dbraw/zinc/06/30/53/1072063053.db2.gz RFNLDJAMRVWLTE-RKDXNWHRSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000802156009 1072063092 /nfs/dbraw/zinc/06/30/92/1072063092.db2.gz DCSOBGBRGCZUJG-BDAKNGLRSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000802156010 1072063004 /nfs/dbraw/zinc/06/30/04/1072063004.db2.gz DCSOBGBRGCZUJG-DTWKUNHWSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000802156011 1072063029 /nfs/dbraw/zinc/06/30/29/1072063029.db2.gz DCSOBGBRGCZUJG-IUCAKERBSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000802156012 1072062803 /nfs/dbraw/zinc/06/28/03/1072062803.db2.gz DCSOBGBRGCZUJG-RKDXNWHRSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000802156108 1072063065 /nfs/dbraw/zinc/06/30/65/1072063065.db2.gz SAFLFGZAPSKSSE-BDAKNGLRSA-N -1 0 414.440 -1.167 20 0 HAADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000802156109 1072062765 /nfs/dbraw/zinc/06/27/65/1072062765.db2.gz SAFLFGZAPSKSSE-DTWKUNHWSA-N -1 0 414.440 -1.167 20 0 HAADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000802156110 1072063070 /nfs/dbraw/zinc/06/30/70/1072063070.db2.gz SAFLFGZAPSKSSE-IUCAKERBSA-N -1 0 414.440 -1.167 20 0 HAADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000802156111 1072062899 /nfs/dbraw/zinc/06/28/99/1072062899.db2.gz SAFLFGZAPSKSSE-RKDXNWHRSA-N -1 0 414.440 -1.167 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000802158927 1072062880 /nfs/dbraw/zinc/06/28/80/1072062880.db2.gz VMTMPNODVWENDB-BDAKNGLRSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000802158930 1072063042 /nfs/dbraw/zinc/06/30/42/1072063042.db2.gz VMTMPNODVWENDB-DTWKUNHWSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000802158932 1072063509 /nfs/dbraw/zinc/06/35/09/1072063509.db2.gz VMTMPNODVWENDB-IUCAKERBSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000802158934 1072063406 /nfs/dbraw/zinc/06/34/06/1072063406.db2.gz VMTMPNODVWENDB-RKDXNWHRSA-N -1 0 415.428 -1.923 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000802161173 1072063493 /nfs/dbraw/zinc/06/34/93/1072063493.db2.gz PHWOSSQBRKSLPL-BDAKNGLRSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000802161174 1072063453 /nfs/dbraw/zinc/06/34/53/1072063453.db2.gz PHWOSSQBRKSLPL-DTWKUNHWSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000802161176 1072063426 /nfs/dbraw/zinc/06/34/26/1072063426.db2.gz PHWOSSQBRKSLPL-IUCAKERBSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000802161179 1072063389 /nfs/dbraw/zinc/06/33/89/1072063389.db2.gz PHWOSSQBRKSLPL-RKDXNWHRSA-N -1 0 412.424 -1.111 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000802164496 1072063474 /nfs/dbraw/zinc/06/34/74/1072063474.db2.gz YXRIWLGAJVVBEH-KXNHARMFSA-N -1 0 424.497 -1.334 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000802164497 1072063533 /nfs/dbraw/zinc/06/35/33/1072063533.db2.gz YXRIWLGAJVVBEH-NOOOWODRSA-N -1 0 424.497 -1.334 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000802164498 1072063525 /nfs/dbraw/zinc/06/35/25/1072063525.db2.gz YXRIWLGAJVVBEH-RHYQMDGZSA-N -1 0 424.497 -1.334 20 0 HAADRM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000802164499 1072063516 /nfs/dbraw/zinc/06/35/16/1072063516.db2.gz YXRIWLGAJVVBEH-WRWGMCAJSA-N -1 0 424.497 -1.334 20 0 HAADRM Cn1c(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cc2c1n(C)c(=O)n(C)c2=O ZINC000802205585 1072063461 /nfs/dbraw/zinc/06/34/61/1072063461.db2.gz FDDPZRHTCZFTJF-UHFFFAOYSA-N -1 0 406.424 -1.163 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)c3cnc4n3CCC4)c2c(=O)n(C)c1=O ZINC000802206133 1072063416 /nfs/dbraw/zinc/06/34/16/1072063416.db2.gz YHXKSUADVYHMMK-UHFFFAOYSA-N -1 0 421.439 -1.528 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1cnc3n1CCC3)c(=O)n2C ZINC000802206429 1072063438 /nfs/dbraw/zinc/06/34/38/1072063438.db2.gz DCBWKEFPWWZEPZ-UHFFFAOYSA-N -1 0 407.412 -1.919 20 0 HAADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)c3cnc4n3CCC4)cnc2n(C)c1=O ZINC000802207418 1072063370 /nfs/dbraw/zinc/06/33/70/1072063370.db2.gz VWUXEOHSOKUHQI-UHFFFAOYSA-N -1 0 404.408 -1.106 20 0 HAADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)c3cnc4n3CCC4)nc2n(C)c1=O ZINC000802208786 1072063545 /nfs/dbraw/zinc/06/35/45/1072063545.db2.gz WPCLHDWMLMFVKO-UHFFFAOYSA-N -1 0 404.408 -1.106 20 0 HAADRM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)c2cn(CC(N)=O)nn2)c1F ZINC000802803365 1072064032 /nfs/dbraw/zinc/06/40/32/1072064032.db2.gz NGUUERRFNXXZSO-UHFFFAOYSA-N -1 0 403.323 -1.053 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cc(C(N)=O)ccc2OC)C(=O)C1=O ZINC000802890157 1072063824 /nfs/dbraw/zinc/06/38/24/1072063824.db2.gz MEFHUVULLUQQBB-UHFFFAOYSA-N -1 0 412.424 -1.710 20 0 HAADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000802892630 1072063832 /nfs/dbraw/zinc/06/38/32/1072063832.db2.gz SWMIHRDJWPLJEP-ALCCZGGFSA-N -1 0 422.419 -1.290 20 0 HAADRM COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000802892631 1072063873 /nfs/dbraw/zinc/06/38/73/1072063873.db2.gz SWMIHRDJWPLJEP-FNORWQNLSA-N -1 0 422.419 -1.290 20 0 HAADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000802995120 1072063923 /nfs/dbraw/zinc/06/39/23/1072063923.db2.gz KKXLABLQJINKNC-UHFFFAOYSA-N -1 0 402.429 -1.236 20 0 HAADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CN2CCN(CC)C(=O)C2=O)CC1 ZINC000802996905 1072064596 /nfs/dbraw/zinc/06/45/96/1072064596.db2.gz IHSYDSJEFUJJIV-UHFFFAOYSA-N -1 0 418.472 -1.256 20 0 HAADRM CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000802997872 1072064656 /nfs/dbraw/zinc/06/46/56/1072064656.db2.gz QXKGFNXVXMZSRT-UHFFFAOYSA-N -1 0 402.429 -1.386 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)C[C@@H]3CCCOC3)c2c(=O)n(C)c1=O ZINC000803003646 1072064720 /nfs/dbraw/zinc/06/47/20/1072064720.db2.gz FXYWGZMHFSCQRL-LLVKDONJSA-N -1 0 413.456 -1.304 20 0 HAADRM Cn1c2ncn(CCC(=O)[N-]S(=O)(=O)C[C@H]3CCCOC3)c2c(=O)n(C)c1=O ZINC000803003647 1072064514 /nfs/dbraw/zinc/06/45/14/1072064514.db2.gz FXYWGZMHFSCQRL-NSHDSACASA-N -1 0 413.456 -1.304 20 0 HAADRM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)nn1 ZINC000803033820 1072064709 /nfs/dbraw/zinc/06/47/09/1072064709.db2.gz OOOUFGTXBUJMCM-UHFFFAOYSA-N -1 0 404.449 -1.049 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)CCNC(=O)OC(C)(C)C)C(=O)C1=O ZINC000803035605 1072064691 /nfs/dbraw/zinc/06/46/91/1072064691.db2.gz DSSGQDBSYGJAMO-UHFFFAOYSA-N -1 0 406.461 -1.352 20 0 HAADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000803181178 1072065008 /nfs/dbraw/zinc/06/50/08/1072065008.db2.gz DSSXEJOLXXUYAS-UHFFFAOYSA-N -1 0 407.470 -1.505 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000803182021 1072065179 /nfs/dbraw/zinc/06/51/79/1072065179.db2.gz SCQBKEGDALNILW-UHFFFAOYSA-N -1 0 403.442 -1.577 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)C(=O)N[C@@H]3CCOC3)ncnc1-2 ZINC000804699786 1071708700 /nfs/dbraw/zinc/70/87/00/1071708700.db2.gz ZDJQSRYFIZDUAY-MRVPVSSYSA-N -1 0 412.248 -1.068 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)C(=O)N[C@H]3CCOC3)ncnc1-2 ZINC000804699787 1071708881 /nfs/dbraw/zinc/70/88/81/1071708881.db2.gz ZDJQSRYFIZDUAY-QMMMGPOBSA-N -1 0 412.248 -1.068 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C(=O)C1=O ZINC000805950618 1071711789 /nfs/dbraw/zinc/71/17/89/1071711789.db2.gz PFAYOZOFKJZGAD-UHFFFAOYSA-N -1 0 403.442 -1.403 20 0 HAADRM Cc1nc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)c(Br)n1C ZINC000806120343 1071712743 /nfs/dbraw/zinc/71/27/43/1071712743.db2.gz VNVPEXIYNCQQRR-UHFFFAOYSA-N -1 0 420.245 -1.143 20 0 HAADRM COCCO[N-]C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000806412530 1071713242 /nfs/dbraw/zinc/71/32/42/1071713242.db2.gz AZAHVDULODEENN-UHFFFAOYSA-N -1 0 414.484 -1.067 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cn1C ZINC000806634753 1071713793 /nfs/dbraw/zinc/71/37/93/1071713793.db2.gz KVGUZMSTFSPBTL-JTQLQIEISA-N -1 0 415.424 -1.018 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cn1C ZINC000806634755 1071713849 /nfs/dbraw/zinc/71/38/49/1071713849.db2.gz KVGUZMSTFSPBTL-SNVBAGLBSA-N -1 0 415.424 -1.018 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cn1C ZINC000806637530 1071713810 /nfs/dbraw/zinc/71/38/10/1071713810.db2.gz LBOUXIIMCKRKTK-LLVKDONJSA-N -1 0 422.437 -1.357 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cn1C ZINC000806637531 1071713857 /nfs/dbraw/zinc/71/38/57/1071713857.db2.gz LBOUXIIMCKRKTK-NSHDSACASA-N -1 0 422.437 -1.357 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cn1C ZINC000806637618 1071713901 /nfs/dbraw/zinc/71/39/01/1071713901.db2.gz NWMSUORHRSHGLI-FTJNGKRUSA-N -1 0 406.438 -1.023 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])cn1C ZINC000806637619 1071714457 /nfs/dbraw/zinc/71/44/57/1071714457.db2.gz NWMSUORHRSHGLI-JPQMIFPKSA-N -1 0 406.438 -1.023 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cn1C ZINC000806637620 1071714402 /nfs/dbraw/zinc/71/44/02/1071714402.db2.gz NWMSUORHRSHGLI-NDHGSNPTSA-N -1 0 406.438 -1.023 20 0 HAADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])cn1C ZINC000806637621 1071714362 /nfs/dbraw/zinc/71/43/62/1071714362.db2.gz NWMSUORHRSHGLI-SSINHNECSA-N -1 0 406.438 -1.023 20 0 HAADRM COCCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000807435542 1071716835 /nfs/dbraw/zinc/71/68/35/1071716835.db2.gz RFWQFNGZAXWTKJ-UHFFFAOYSA-N -1 0 414.440 -1.170 20 0 HAADRM CCOC(=O)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 ZINC000810416020 1071722390 /nfs/dbraw/zinc/72/23/90/1071722390.db2.gz MDWJQAGREJDBBS-UHFFFAOYSA-N -1 0 402.429 -1.196 20 0 HAADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000810827920 1071722351 /nfs/dbraw/zinc/72/23/51/1071722351.db2.gz BGPQMIJHGOLLLE-UHFFFAOYSA-N -1 0 408.396 -1.062 20 0 HAADRM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cc(C)c2c(n1)n(C)c(=O)n(C)c2=O ZINC000810833311 1071722363 /nfs/dbraw/zinc/72/23/63/1071722363.db2.gz LXVJEBCWLDOCLH-UHFFFAOYSA-N -1 0 408.396 -1.062 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000811135741 1071722928 /nfs/dbraw/zinc/72/29/28/1071722928.db2.gz IJHDMRJJFZJRSP-UHFFFAOYSA-N -1 0 415.428 -1.921 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000811138714 1071722969 /nfs/dbraw/zinc/72/29/69/1071722969.db2.gz RPFCBIYUWHCGSZ-UHFFFAOYSA-N -1 0 412.424 -1.109 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000811140365 1071723441 /nfs/dbraw/zinc/72/34/41/1071723441.db2.gz YMADTNWUWVQYAU-GHMZBOCLSA-N -1 0 424.497 -1.333 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000811140366 1071723438 /nfs/dbraw/zinc/72/34/38/1071723438.db2.gz YMADTNWUWVQYAU-MNOVXSKESA-N -1 0 424.497 -1.333 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000811140367 1071723407 /nfs/dbraw/zinc/72/34/07/1071723407.db2.gz YMADTNWUWVQYAU-QWRGUYRKSA-N -1 0 424.497 -1.333 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000811140368 1071723434 /nfs/dbraw/zinc/72/34/34/1071723434.db2.gz YMADTNWUWVQYAU-WDEREUQCSA-N -1 0 424.497 -1.333 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000811140509 1071723402 /nfs/dbraw/zinc/72/34/02/1071723402.db2.gz FAVMNKXAWZTNLV-UHFFFAOYSA-N -1 0 414.440 -1.166 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000811140582 1071723373 /nfs/dbraw/zinc/72/33/73/1071723373.db2.gz IIUFUNVBYGFYJY-UHFFFAOYSA-N -1 0 412.424 -1.109 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000811141897 1071723449 /nfs/dbraw/zinc/72/34/49/1071723449.db2.gz UEOSNITXUJEHAI-UHFFFAOYSA-N -1 0 415.428 -1.060 20 0 HAADRM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000811142463 1071722996 /nfs/dbraw/zinc/72/29/96/1071722996.db2.gz IGJUUINDJWAGHB-UHFFFAOYSA-N -1 0 415.428 -1.921 20 0 HAADRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)cc1-n1cnnn1 ZINC000813943532 1071725196 /nfs/dbraw/zinc/72/51/96/1071725196.db2.gz DENYOOYVFVUQNL-UHFFFAOYSA-N -1 0 409.428 -1.190 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813943684 1071725259 /nfs/dbraw/zinc/72/52/59/1071725259.db2.gz FDPCUMFYAFRXNZ-CYBMUJFWSA-N -1 0 403.461 -2.361 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000813943685 1071725230 /nfs/dbraw/zinc/72/52/30/1071725230.db2.gz FDPCUMFYAFRXNZ-ZDUSSCGKSA-N -1 0 403.461 -2.361 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000813944838 1071725264 /nfs/dbraw/zinc/72/52/64/1071725264.db2.gz ZCNZNXNQCVGHRV-UHFFFAOYSA-N -1 0 412.424 -1.330 20 0 HAADRM CNC(=O)COc1cccc(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000813944886 1071725238 /nfs/dbraw/zinc/72/52/38/1071725238.db2.gz ZVFGTCMBTWVOAC-UHFFFAOYSA-N -1 0 412.468 -1.121 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000813945098 1071725671 /nfs/dbraw/zinc/72/56/71/1071725671.db2.gz AOSCJAXOKXIVCC-UHFFFAOYSA-N -1 0 408.458 -1.331 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000813945165 1071725690 /nfs/dbraw/zinc/72/56/90/1071725690.db2.gz DJBHMFCICBAINE-UHFFFAOYSA-N -1 0 403.461 -1.378 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000813945422 1071725649 /nfs/dbraw/zinc/72/56/49/1071725649.db2.gz ISUHRBHJFWRKPB-UHFFFAOYSA-N -1 0 421.501 -1.586 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1 ZINC000813946286 1071725620 /nfs/dbraw/zinc/72/56/20/1071725620.db2.gz XSDWPUPTPMFDDI-UHFFFAOYSA-N -1 0 422.485 -1.023 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000813946629 1071725660 /nfs/dbraw/zinc/72/56/60/1071725660.db2.gz GPQHLYWXKFJSNC-UHFFFAOYSA-N -1 0 410.500 -1.271 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000813946741 1071725609 /nfs/dbraw/zinc/72/56/09/1071725609.db2.gz JSILRGNPOYYSFW-UHFFFAOYSA-N -1 0 423.451 -1.123 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000813946977 1071725593 /nfs/dbraw/zinc/72/55/93/1071725593.db2.gz UILFNCQTBNYJSH-UHFFFAOYSA-N -1 0 424.439 -2.229 20 0 HAADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000813947300 1071725638 /nfs/dbraw/zinc/72/56/38/1071725638.db2.gz ZWVCICIFFHCAEQ-CYBMUJFWSA-N -1 0 410.518 -1.427 20 0 HAADRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1 ZINC000813947301 1071725602 /nfs/dbraw/zinc/72/56/02/1071725602.db2.gz ZWVCICIFFHCAEQ-ZDUSSCGKSA-N -1 0 410.518 -1.427 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 ZINC000813947812 1071725631 /nfs/dbraw/zinc/72/56/31/1071725631.db2.gz ZLTTUAVHSHPTJH-UHFFFAOYSA-N -1 0 408.440 -1.290 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000813947978 1071726034 /nfs/dbraw/zinc/72/60/34/1071726034.db2.gz BAFSKFNXENUBBE-BETUJISGSA-N -1 0 400.457 -1.313 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000813947981 1071726030 /nfs/dbraw/zinc/72/60/30/1071726030.db2.gz BAFSKFNXENUBBE-CHWSQXEVSA-N -1 0 400.457 -1.313 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000813947983 1071726021 /nfs/dbraw/zinc/72/60/21/1071726021.db2.gz BAFSKFNXENUBBE-STQMWFEESA-N -1 0 400.457 -1.313 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000813948055 1071725684 /nfs/dbraw/zinc/72/56/84/1071725684.db2.gz CIXQQYLPXVKLRL-UHFFFAOYSA-N -1 0 411.506 -2.911 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1 ZINC000813948067 1071725694 /nfs/dbraw/zinc/72/56/94/1071725694.db2.gz CTALBLBQRAHINC-UHFFFAOYSA-N -1 0 422.485 -1.023 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000813948069 1071725569 /nfs/dbraw/zinc/72/55/69/1071725569.db2.gz CUSXYQANNWZDBA-HNNXBMFYSA-N -1 0 422.467 -1.368 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000813948070 1071725656 /nfs/dbraw/zinc/72/56/56/1071725656.db2.gz CUSXYQANNWZDBA-OAHLLOKOSA-N -1 0 422.467 -1.368 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000813948084 1071725586 /nfs/dbraw/zinc/72/55/86/1071725586.db2.gz DFEDHZGXGJTPOH-UHFFFAOYSA-N -1 0 424.439 -2.229 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000813948161 1071725979 /nfs/dbraw/zinc/72/59/79/1071725979.db2.gz FRWOUTAEXWCZHN-UHFFFAOYSA-N -1 0 409.424 -1.373 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000813948314 1071725614 /nfs/dbraw/zinc/72/56/14/1071725614.db2.gz IRSNVVAQIGFKSK-UHFFFAOYSA-N -1 0 417.469 -1.991 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC000813948365 1071725578 /nfs/dbraw/zinc/72/55/78/1071725578.db2.gz GVFGYAFLVAURIM-UHFFFAOYSA-N -1 0 412.468 -1.042 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000813948567 1071725677 /nfs/dbraw/zinc/72/56/77/1071725677.db2.gz KCTZQABRLAELEB-UHFFFAOYSA-N -1 0 401.445 -1.624 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000813949018 1071726015 /nfs/dbraw/zinc/72/60/15/1071726015.db2.gz OUVMVCLXAFRQSV-LLVKDONJSA-N -1 0 402.395 -1.225 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000813949023 1071726446 /nfs/dbraw/zinc/72/64/46/1071726446.db2.gz OUVMVCLXAFRQSV-NSHDSACASA-N -1 0 402.395 -1.225 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000813949060 1071726540 /nfs/dbraw/zinc/72/65/40/1071726540.db2.gz OUIFGIFZDDGMNN-UHFFFAOYSA-N -1 0 407.474 -1.596 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000813949167 1071726032 /nfs/dbraw/zinc/72/60/32/1071726032.db2.gz QEEFCWYHBAEVHC-UHFFFAOYSA-N -1 0 421.476 -1.848 20 0 HAADRM COc1cc(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1OCC(N)=O ZINC000813949256 1071725998 /nfs/dbraw/zinc/72/59/98/1071725998.db2.gz RMLKZHKUSXXWBU-UHFFFAOYSA-N -1 0 414.440 -1.302 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000813949307 1071726062 /nfs/dbraw/zinc/72/60/62/1071726062.db2.gz SYZGGZGOKFCAEM-UHFFFAOYSA-N -1 0 415.472 -1.234 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000813949321 1071726041 /nfs/dbraw/zinc/72/60/41/1071726041.db2.gz SCBOKDNVGNKWEL-LLVKDONJSA-N -1 0 415.472 -1.235 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000813949325 1071725985 /nfs/dbraw/zinc/72/59/85/1071725985.db2.gz SCBOKDNVGNKWEL-NSHDSACASA-N -1 0 415.472 -1.235 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000813949548 1071725991 /nfs/dbraw/zinc/72/59/91/1071725991.db2.gz VZXHSTQYQJHZER-UHFFFAOYSA-N -1 0 419.485 -1.529 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000813949598 1071725969 /nfs/dbraw/zinc/72/59/69/1071725969.db2.gz ACAUIHXOWGMZRJ-AWEZNQCLSA-N -1 0 409.468 -1.045 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000813949602 1071726054 /nfs/dbraw/zinc/72/60/54/1071726054.db2.gz ACAUIHXOWGMZRJ-CQSZACIVSA-N -1 0 409.468 -1.045 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000813949610 1071725965 /nfs/dbraw/zinc/72/59/65/1071725965.db2.gz WZIODJJSVFQTBZ-JTQLQIEISA-N -1 0 400.379 -1.078 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000813949612 1071726009 /nfs/dbraw/zinc/72/60/09/1071726009.db2.gz WZIODJJSVFQTBZ-SNVBAGLBSA-N -1 0 400.379 -1.078 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000813949702 1071726026 /nfs/dbraw/zinc/72/60/26/1071726026.db2.gz BRIZTTRLIVQRRR-UHFFFAOYSA-N -1 0 419.485 -1.773 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000813949713 1071726006 /nfs/dbraw/zinc/72/60/06/1071726006.db2.gz BXRHFJCBQZYWJR-UHFFFAOYSA-N -1 0 418.497 -1.168 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000813949740 1071725972 /nfs/dbraw/zinc/72/59/72/1071725972.db2.gz CEDNRXFKYWYMJP-UHFFFAOYSA-N -1 0 415.472 -1.234 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000813949879 1071726046 /nfs/dbraw/zinc/72/60/46/1071726046.db2.gz FCCAIRSBEYQIJV-UHFFFAOYSA-N -1 0 408.458 -1.331 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000813949972 1071726491 /nfs/dbraw/zinc/72/64/91/1071726491.db2.gz HDYFICVZGZWNIA-UHFFFAOYSA-N -1 0 408.440 -1.293 20 0 HAADRM CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)C1=O ZINC000813950097 1071726528 /nfs/dbraw/zinc/72/65/28/1071726528.db2.gz JUNXUVJBKDAHRZ-UHFFFAOYSA-N -1 0 403.461 -1.378 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000813950191 1071726534 /nfs/dbraw/zinc/72/65/34/1071726534.db2.gz WINYMEIBHVFFMU-HNNXBMFYSA-N -1 0 401.445 -1.768 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000813950194 1071726476 /nfs/dbraw/zinc/72/64/76/1071726476.db2.gz WINYMEIBHVFFMU-OAHLLOKOSA-N -1 0 401.445 -1.768 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000813950447 1071726510 /nfs/dbraw/zinc/72/65/10/1071726510.db2.gz QUQRCTVJQVGENB-NXEZZACHSA-N -1 0 400.379 -1.031 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000813950448 1071726468 /nfs/dbraw/zinc/72/64/68/1071726468.db2.gz QUQRCTVJQVGENB-UWVGGRQHSA-N -1 0 400.379 -1.031 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000813950449 1071726544 /nfs/dbraw/zinc/72/65/44/1071726544.db2.gz QUQRCTVJQVGENB-VHSXEESVSA-N -1 0 400.379 -1.031 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000813950450 1071726496 /nfs/dbraw/zinc/72/64/96/1071726496.db2.gz QUQRCTVJQVGENB-ZJUUUORDSA-N -1 0 400.379 -1.031 20 0 HAADRM CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000813950599 1071726452 /nfs/dbraw/zinc/72/64/52/1071726452.db2.gz XTJRVQHCQRKPFS-UHFFFAOYSA-N -1 0 410.518 -1.427 20 0 HAADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCNC(=O)OCc2ccccc2)c1=O ZINC000813978463 1071726502 /nfs/dbraw/zinc/72/65/02/1071726502.db2.gz MLUWBGUYJZTPAR-UHFFFAOYSA-N -1 0 424.435 -1.081 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1C(N)=O ZINC000815896367 1071729646 /nfs/dbraw/zinc/72/96/46/1071729646.db2.gz CUYIYRDBDXLIBY-UHFFFAOYSA-N -1 0 405.392 -1.075 20 0 HAADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1=O ZINC000815896778 1071729737 /nfs/dbraw/zinc/72/97/37/1071729737.db2.gz SFLNBAWBWBXSRL-UHFFFAOYSA-N -1 0 407.408 -1.286 20 0 HAADRM Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1=O ZINC000816002429 1071729701 /nfs/dbraw/zinc/72/97/01/1071729701.db2.gz SLQGOKDPPLEVEL-UHFFFAOYSA-N -1 0 417.831 -1.006 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000816094265 1071730222 /nfs/dbraw/zinc/73/02/22/1071730222.db2.gz OJTDWQPKCBXVBM-UHFFFAOYSA-N -1 0 409.424 -1.493 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000816094405 1071730215 /nfs/dbraw/zinc/73/02/15/1071730215.db2.gz SQUCPIAMIPTRDG-GFCCVEGCSA-N -1 0 400.461 -1.572 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000816094406 1071730145 /nfs/dbraw/zinc/73/01/45/1071730145.db2.gz SQUCPIAMIPTRDG-LBPRGKRZSA-N -1 0 400.461 -1.572 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C(=O)C1=O ZINC000816197415 1071730240 /nfs/dbraw/zinc/73/02/40/1071730240.db2.gz RNZXHKZCWBHFKB-UHFFFAOYSA-N -1 0 408.440 -1.228 20 0 HAADRM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000816201564 1071730125 /nfs/dbraw/zinc/73/01/25/1071730125.db2.gz IHBSJWZEWXIFMC-UHFFFAOYSA-N -1 0 413.437 -1.032 20 0 HAADRM Cn1cnc2c1c(=O)n(CC(=O)[N-]S(=O)(=O)c1cnn3c1OCCC3)c(=O)n2C ZINC000816201877 1071730188 /nfs/dbraw/zinc/73/01/88/1071730188.db2.gz VALSXFGOHDVGII-UHFFFAOYSA-N -1 0 423.411 -2.082 20 0 HAADRM Cn1c(=O)c2cc(C(=O)[N-]S(=O)(=O)c3cnn4c3OCCC4)cnc2n(C)c1=O ZINC000816203345 1071730312 /nfs/dbraw/zinc/73/03/12/1071730312.db2.gz IQDMSPFSUZOLGW-UHFFFAOYSA-N -1 0 420.407 -1.270 20 0 HAADRM Cn1c(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cc2c1n(C)c(=O)n(C)c2=O ZINC000816205052 1071730315 /nfs/dbraw/zinc/73/03/15/1071730315.db2.gz FTWVVIYEVNLGDG-UHFFFAOYSA-N -1 0 422.423 -1.327 20 0 HAADRM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)c3cnn4c3OCCC4)nc2n(C)c1=O ZINC000816205379 1071730300 /nfs/dbraw/zinc/73/03/00/1071730300.db2.gz VJZXBCLKERXHFD-UHFFFAOYSA-N -1 0 420.407 -1.270 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C(=O)C1=O ZINC000816291022 1071730628 /nfs/dbraw/zinc/73/06/28/1071730628.db2.gz CNKOVFKJUHGKCU-UHFFFAOYSA-N -1 0 411.362 -1.066 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc2)CC1 ZINC000816732159 1071731193 /nfs/dbraw/zinc/73/11/93/1071731193.db2.gz VILJQMWALULQIE-UHFFFAOYSA-N -1 0 410.412 -1.074 20 0 HAADRM CC(C)(C)C[C@@H](O)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000821251404 1071734626 /nfs/dbraw/zinc/73/46/26/1071734626.db2.gz VBLPQBLQKUGXCW-GHMZBOCLSA-N -1 0 401.507 -1.352 20 0 HAADRM CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000821251417 1071734527 /nfs/dbraw/zinc/73/45/27/1071734527.db2.gz VBLPQBLQKUGXCW-MNOVXSKESA-N -1 0 401.507 -1.352 20 0 HAADRM CC(C)(C)C[C@H](O)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000821251418 1071734574 /nfs/dbraw/zinc/73/45/74/1071734574.db2.gz VBLPQBLQKUGXCW-QWRGUYRKSA-N -1 0 401.507 -1.352 20 0 HAADRM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000821251419 1071734585 /nfs/dbraw/zinc/73/45/85/1071734585.db2.gz VBLPQBLQKUGXCW-WDEREUQCSA-N -1 0 401.507 -1.352 20 0 HAADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000821743383 1071734594 /nfs/dbraw/zinc/73/45/94/1071734594.db2.gz AKWKVBDRFKEWTG-UHFFFAOYSA-N -1 0 415.424 -1.353 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000832034217 1072126833 /nfs/dbraw/zinc/12/68/33/1072126833.db2.gz KWLRQHKGHATJMT-INIZCTEOSA-N -1 0 407.408 -1.256 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000832034218 1072126859 /nfs/dbraw/zinc/12/68/59/1072126859.db2.gz KWLRQHKGHATJMT-MRXNPFEDSA-N -1 0 407.408 -1.256 20 0 HAADRM Cn1c(-c2nc(-c3cn(CCO)c(=O)nc3[O-])no2)cc2c1n(C)c(=O)n(C)c2=O ZINC000904861770 1071345741 /nfs/dbraw/zinc/34/57/41/1071345741.db2.gz PNPFVJGWLJFUNB-UHFFFAOYSA-N -1 0 415.366 -1.453 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000913077825 1071369341 /nfs/dbraw/zinc/36/93/41/1071369341.db2.gz MTGBEAXGPKPXCT-UHFFFAOYSA-N -1 0 414.440 -1.585 20 0 HAADRM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc1 ZINC000914793063 1071480576 /nfs/dbraw/zinc/48/05/76/1071480576.db2.gz YKAHWODUSNFJRY-UHFFFAOYSA-N -1 0 405.454 -1.139 20 0 HAADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c(=O)n(C)c1=O ZINC000916173022 1071495797 /nfs/dbraw/zinc/49/57/97/1071495797.db2.gz MNTUNVZUHMKLOK-SREVYHEPSA-N -1 0 417.407 -1.422 20 0 HAADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000916182618 1071495563 /nfs/dbraw/zinc/49/55/63/1071495563.db2.gz WTIBKAZACCJREZ-UHFFFAOYSA-N -1 0 423.455 -1.321 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1C(N)=O ZINC000916185565 1071495539 /nfs/dbraw/zinc/49/55/39/1071495539.db2.gz GBGSBJBBAJWCHP-UHFFFAOYSA-N -1 0 420.407 -1.812 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(n2)n(C)c(=O)n(C)c3=O)cc1C(N)=O ZINC000916188531 1071495523 /nfs/dbraw/zinc/49/55/23/1071495523.db2.gz AVPWBBJLXYSXFN-UHFFFAOYSA-N -1 0 420.407 -1.812 20 0 HAADRM Cn1cc(C(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O ZINC000916787402 1071498783 /nfs/dbraw/zinc/49/87/83/1071498783.db2.gz ASNWNRRDGVDBJP-UHFFFAOYSA-N -1 0 406.376 -1.158 20 0 HAADRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1=O ZINC000916788185 1071498911 /nfs/dbraw/zinc/49/89/11/1071498911.db2.gz QJUIXXBALGKDCF-UHFFFAOYSA-N -1 0 420.403 -1.711 20 0 HAADRM O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000916788189 1071498960 /nfs/dbraw/zinc/49/89/60/1071498960.db2.gz QSOLLXLXHMPLLS-UHFFFAOYSA-N -1 0 415.449 -1.236 20 0 HAADRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000916788453 1071498849 /nfs/dbraw/zinc/49/88/49/1071498849.db2.gz BPTBOKKPZDWIAT-UHFFFAOYSA-N -1 0 403.442 -1.179 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cn1 ZINC000916821594 1071498898 /nfs/dbraw/zinc/49/88/98/1071498898.db2.gz JKYWFEGPLMBWHB-UHFFFAOYSA-N -1 0 417.469 -1.102 20 0 HAADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000916824442 1071498834 /nfs/dbraw/zinc/49/88/34/1071498834.db2.gz PCAPKHPVIRQSPZ-UHFFFAOYSA-N -1 0 420.451 -1.073 20 0 HAADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000916824885 1071498955 /nfs/dbraw/zinc/49/89/55/1071498955.db2.gz PCQRTRSSBRESMX-UHFFFAOYSA-N -1 0 420.451 -1.073 20 0 HAADRM CCN1CCN(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)C(=O)C1=O ZINC000917441062 1071502976 /nfs/dbraw/zinc/50/29/76/1071502976.db2.gz FMIAUTNWFKCDMG-UHFFFAOYSA-N -1 0 421.439 -1.627 20 0 HAADRM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000917442007 1071502970 /nfs/dbraw/zinc/50/29/70/1071502970.db2.gz RTIRDPRIXFPVCN-UHFFFAOYSA-N -1 0 400.442 -1.283 20 0 HAADRM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000918064375 1071506233 /nfs/dbraw/zinc/50/62/33/1071506233.db2.gz DRHUFDPGOFONHU-GFCCVEGCSA-N -1 0 413.408 -1.447 20 0 HAADRM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000918064376 1071506112 /nfs/dbraw/zinc/50/61/12/1071506112.db2.gz DRHUFDPGOFONHU-LBPRGKRZSA-N -1 0 413.408 -1.447 20 0 HAADRM O=C(CCN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000918481061 1071511107 /nfs/dbraw/zinc/51/11/07/1071511107.db2.gz ALQSRPUXQSSBJC-UHFFFAOYSA-N -1 0 400.442 -1.107 20 0 HAADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)c(=O)n(C)c1=O ZINC000920267195 1071533345 /nfs/dbraw/zinc/53/33/45/1071533345.db2.gz QTYISDYXOXRTGT-VMPITWQZSA-N -1 0 421.435 -1.229 20 0 HAADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(CNC(N)=O)cc2)c(=O)n(C)c1=O ZINC000920267196 1071533223 /nfs/dbraw/zinc/53/32/23/1071533223.db2.gz QTYISDYXOXRTGT-YVMONPNESA-N -1 0 421.435 -1.229 20 0 HAADRM O=C([O-])CNC(=O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000920937751 1071536389 /nfs/dbraw/zinc/53/63/89/1071536389.db2.gz MCDSKRWUPFPAJR-UHFFFAOYSA-N -1 0 413.452 -1.043 20 0 HAADRM COc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000920938608 1071536227 /nfs/dbraw/zinc/53/62/27/1071536227.db2.gz PSAJFNZPYNQOKP-UHFFFAOYSA-N -1 0 415.424 -1.353 20 0 HAADRM CO[C@@H]1CN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944054840 1071555845 /nfs/dbraw/zinc/55/58/45/1071555845.db2.gz NNXILKSVSYALAF-NUSOQBSHSA-N -1 0 419.438 -1.019 20 0 HAADRM CO[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944055616 1071555619 /nfs/dbraw/zinc/55/56/19/1071555619.db2.gz ZYDXKQHCWGXZSN-LOFFSQHTSA-N -1 0 404.423 -1.135 20 0 HAADRM CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC000944377815 1071557299 /nfs/dbraw/zinc/55/72/99/1071557299.db2.gz HESKUEOGMKUICG-LOFFSQHTSA-N -1 0 404.423 -1.135 20 0 HAADRM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1O ZINC000958904790 1072050011 /nfs/dbraw/zinc/05/00/11/1072050011.db2.gz IFFKHJCVOICYLD-DLSXRBOOSA-N -1 0 404.423 -1.447 20 0 HAADRM CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1O ZINC000958910298 1072049879 /nfs/dbraw/zinc/04/98/79/1072049879.db2.gz IDQPYVYHMVJBRF-DLSXRBOOSA-N -1 0 404.423 -1.447 20 0 HAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC000960676928 1072051476 /nfs/dbraw/zinc/05/14/76/1072051476.db2.gz QIJHZWSNIZZJTO-MYZLTYOMSA-N -1 0 403.395 -1.242 20 0 HAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC000960691914 1072051428 /nfs/dbraw/zinc/05/14/28/1072051428.db2.gz BFDLQTVQHHTOKC-MYZLTYOMSA-N -1 0 403.395 -1.242 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC000960692532 1072051541 /nfs/dbraw/zinc/05/15/41/1072051541.db2.gz GOAJPBCVRYCYOT-DEJOPHEWSA-N -1 0 405.411 -1.449 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC000960710368 1072052145 /nfs/dbraw/zinc/05/21/45/1072052145.db2.gz NLSCAGOJMHRNOB-DEJOPHEWSA-N -1 0 405.411 -1.449 20 0 HAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000965436849 1072053686 /nfs/dbraw/zinc/05/36/86/1072053686.db2.gz YOWKDTLFWNYNON-OQEOFVATSA-N -1 0 403.395 -1.240 20 0 HAADRM O=C(c1n[nH]c(=O)[n-]c1=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CCO2 ZINC000965437814 1072054255 /nfs/dbraw/zinc/05/42/55/1072054255.db2.gz YKCXTDXLTAFEAW-OQEOFVATSA-N -1 0 403.395 -1.240 20 0 HAADRM O=C(N[C@H]1COC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000965751721 1072054189 /nfs/dbraw/zinc/05/41/89/1072054189.db2.gz MZKHDXQMMBPVPZ-JYMMUIJESA-N -1 0 403.395 -1.194 20 0 HAADRM O=C(N[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000965751735 1072054298 /nfs/dbraw/zinc/05/42/98/1072054298.db2.gz MZKHDXQMMBPVPZ-ZTHPDXAWSA-N -1 0 403.395 -1.194 20 0 HAADRM O=C(N[C@H]1COC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000965752064 1072054337 /nfs/dbraw/zinc/05/43/37/1072054337.db2.gz HMTJEHFQALUFCC-JYMMUIJESA-N -1 0 403.395 -1.194 20 0 HAADRM O=C(N[C@@H]1COC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000965752067 1072054374 /nfs/dbraw/zinc/05/43/74/1072054374.db2.gz HMTJEHFQALUFCC-ZTHPDXAWSA-N -1 0 403.395 -1.194 20 0 HAADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1 ZINC000969326717 1070793258 /nfs/dbraw/zinc/79/32/58/1070793258.db2.gz JIYUFJHROWODLT-WLECRFNXSA-N -1 0 405.411 -1.673 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1 ZINC000969335996 1070794564 /nfs/dbraw/zinc/79/45/64/1070794564.db2.gz DVLYWVNZFXLWBM-ZOBBPLSQSA-N -1 0 414.422 -1.818 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1O ZINC000969715219 1070798178 /nfs/dbraw/zinc/79/81/78/1070798178.db2.gz AQKXQMKVEGNOII-SFYZRTLMSA-N -1 0 402.411 -1.673 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1O ZINC000969717295 1070798213 /nfs/dbraw/zinc/79/82/13/1070798213.db2.gz FIXUTSDVPJGQMB-ZOBBPLSQSA-N -1 0 414.422 -1.818 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](O)C1 ZINC000970844553 1070818902 /nfs/dbraw/zinc/81/89/02/1070818902.db2.gz SGDIFLUTENAWBN-SFYZRTLMSA-N -1 0 402.411 -1.673 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000999028059 1071582961 /nfs/dbraw/zinc/58/29/61/1071582961.db2.gz HZWCZDIHIQIMCP-IROTVPAZSA-N -1 0 407.427 -1.011 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000999261831 1071583429 /nfs/dbraw/zinc/58/34/29/1071583429.db2.gz VCKDGWRJUXHQHA-IROTVPAZSA-N -1 0 407.427 -1.011 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001004818765 1071608693 /nfs/dbraw/zinc/60/86/93/1071608693.db2.gz HZWCZDIHIQIMCP-PLXWNWTRSA-N -1 0 407.427 -1.011 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005050452 1071610013 /nfs/dbraw/zinc/61/00/13/1071610013.db2.gz VCKDGWRJUXHQHA-PLXWNWTRSA-N -1 0 407.427 -1.011 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001024913933 1070897870 /nfs/dbraw/zinc/89/78/70/1070897870.db2.gz DVLYWVNZFXLWBM-IXPXHJAHSA-N -1 0 414.422 -1.818 20 0 HAADRM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001024918770 1070898568 /nfs/dbraw/zinc/89/85/68/1070898568.db2.gz JIYUFJHROWODLT-AGKXRBDTSA-N -1 0 405.411 -1.673 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1O ZINC001025095674 1070900881 /nfs/dbraw/zinc/90/08/81/1070900881.db2.gz AQKXQMKVEGNOII-HECBCWNYSA-N -1 0 402.411 -1.673 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O ZINC001025095939 1070900685 /nfs/dbraw/zinc/90/06/85/1070900685.db2.gz FIXUTSDVPJGQMB-IXPXHJAHSA-N -1 0 414.422 -1.818 20 0 HAADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001025762455 1070905962 /nfs/dbraw/zinc/90/59/62/1070905962.db2.gz SGDIFLUTENAWBN-HECBCWNYSA-N -1 0 402.411 -1.673 20 0 HAADRM O=C(NCCN(CCO)C(=O)c1c[n-]n2c1nccc2=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001057623315 1072073673 /nfs/dbraw/zinc/07/36/73/1072073673.db2.gz YIGRSQDRDQNDGC-APVFFNHTSA-N -1 0 401.423 -1.003 20 0 HAADRM O=C(NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c[n-]n2c1nccc2=O ZINC001058229562 1072079035 /nfs/dbraw/zinc/07/90/35/1072079035.db2.gz STFMRGYENZMHSO-APVFFNHTSA-N -1 0 401.423 -1.003 20 0 HAADRM O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1n1ccnn1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001069985704 1072081825 /nfs/dbraw/zinc/08/18/25/1072081825.db2.gz CXWQIUWQPJSZNO-DKBOKBLXSA-N -1 0 404.431 -1.305 20 0 HAADRM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070241588 1072085756 /nfs/dbraw/zinc/08/57/56/1072085756.db2.gz OEMJLSPJBVQGQD-DKBOKBLXSA-N -1 0 404.431 -1.305 20 0 HAADRM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094647698 1071778085 /nfs/dbraw/zinc/77/80/85/1071778085.db2.gz ATNTUASUHQSJOM-OEZHXSHYSA-N -1 0 409.468 -1.257 20 0 HAADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)CN3CCN(S(C)(=O)=O)CC3)cnc21 ZINC001116671067 1071587921 /nfs/dbraw/zinc/58/79/21/1071587921.db2.gz IWERZPMSLWRZOW-UHFFFAOYSA-N -1 0 416.485 -1.650 20 0 HAADRM O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001117737766 1072123750 /nfs/dbraw/zinc/12/37/50/1072123750.db2.gz RENYBWWJJQEMGB-AWEZNQCLSA-N -1 0 407.475 -1.277 20 0 HAADRM O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001117737768 1072123866 /nfs/dbraw/zinc/12/38/66/1072123866.db2.gz RENYBWWJJQEMGB-CQSZACIVSA-N -1 0 407.475 -1.277 20 0 HAADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(=O)n(C)c1=O ZINC001117759520 1072124197 /nfs/dbraw/zinc/12/41/97/1072124197.db2.gz RHCFJSJEEGJSJX-AAOUONPWSA-N -1 0 409.424 -1.240 20 0 HAADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(=O)n(C)c1=O ZINC001117759521 1072124241 /nfs/dbraw/zinc/12/42/41/1072124241.db2.gz RHCFJSJEEGJSJX-MVZIDQBPSA-N -1 0 409.424 -1.240 20 0 HAADRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(=O)n(C)c1=O ZINC001117759522 1072124171 /nfs/dbraw/zinc/12/41/71/1072124171.db2.gz RHCFJSJEEGJSJX-PCAWENJQSA-N -1 0 409.424 -1.240 20 0 HAADRM Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(=O)n(C)c1=O ZINC001117759523 1072124299 /nfs/dbraw/zinc/12/42/99/1072124299.db2.gz RHCFJSJEEGJSJX-VSQXVHSFSA-N -1 0 409.424 -1.240 20 0 HAADRM CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001120295044 1072124850 /nfs/dbraw/zinc/12/48/50/1072124850.db2.gz XUGXUBXWGVCCGY-UHFFFAOYSA-N -1 0 412.468 -1.105 20 0 HAADRM O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138389362 1072126781 /nfs/dbraw/zinc/12/67/81/1072126781.db2.gz HQWQKMMUBBEMSV-IJLUTSLNSA-N -1 0 417.406 -1.624 20 0 HAADRM O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138389963 1072126819 /nfs/dbraw/zinc/12/68/19/1072126819.db2.gz SRHGANNIPWLLCG-QMMMGPOBSA-N -1 0 401.367 -1.438 20 0 HAADRM Cc1nn(CC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)c(=O)n1C ZINC001138394551 1072126770 /nfs/dbraw/zinc/12/67/70/1072126770.db2.gz CVFBFALSKOPUKH-UHFFFAOYSA-N -1 0 414.410 -1.132 20 0 HAADRM COC1(C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CS(=O)(=O)C1 ZINC001138395414 1072126790 /nfs/dbraw/zinc/12/67/90/1072126790.db2.gz NVLWRKZTDVLFGF-UHFFFAOYSA-N -1 0 423.435 -1.223 20 0 HAADRM COc1cc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccn1 ZINC001142237207 1072131434 /nfs/dbraw/zinc/13/14/34/1072131434.db2.gz GQBDCELUTVAOFJ-WMESBKTJSA-N -1 0 422.412 -2.234 20 0 HAADRM COc1cc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccn1 ZINC001142237208 1072131366 /nfs/dbraw/zinc/13/13/66/1072131366.db2.gz GQBDCELUTVAOFJ-YGARTUKASA-N -1 0 422.412 -2.234 20 0 HAADRM O=C(Cc1ccc(Cl)s1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001142245027 1072131383 /nfs/dbraw/zinc/13/13/83/1072131383.db2.gz MKDOLPSIOQJISO-BWHCZOGYSA-N -1 0 417.845 -1.313 20 0 HAADRM O=C(Cc1ccc(Cl)s1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001142245028 1072131408 /nfs/dbraw/zinc/13/14/08/1072131408.db2.gz MKDOLPSIOQJISO-NJOIIQIHSA-N -1 0 417.845 -1.313 20 0 HAADRM Cc1cc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccn1 ZINC001142256417 1072131345 /nfs/dbraw/zinc/13/13/45/1072131345.db2.gz OBGBPMKKYJZPCY-DIAXPKBXSA-N -1 0 406.413 -1.934 20 0 HAADRM Cc1cc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccn1 ZINC001142256425 1072131424 /nfs/dbraw/zinc/13/14/24/1072131424.db2.gz OBGBPMKKYJZPCY-GZENYHORSA-N -1 0 406.413 -1.934 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCC(=O)NCc1cccnc1 ZINC001142324909 1072131893 /nfs/dbraw/zinc/13/18/93/1072131893.db2.gz XZAXXZPJVGRQAP-UHFFFAOYSA-N -1 0 411.400 -1.160 20 0 HAADRM Cn1c2ncn(CC(=O)Nc3ccc4c(c3)S(=O)(=O)[N-]C4=O)c2c(=O)n(C)c1=O ZINC001142388935 1072133336 /nfs/dbraw/zinc/13/33/36/1072133336.db2.gz LZZMMVJIVZBRTB-UHFFFAOYSA-N -1 0 418.391 -1.496 20 0 HAADRM C[C@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(=O)N1S(=O)(=O)[O-] ZINC001142390993 1072133294 /nfs/dbraw/zinc/13/32/94/1072133294.db2.gz CFQCBXXFWDCNKL-XPUUQOCRSA-N -1 0 400.373 -3.048 20 0 HAADRM Cn1c2ncn(CC(=O)NC(=N)SCCS(=O)(=O)[O-])c2c(=O)n(C)c1=O ZINC001142391886 1072133322 /nfs/dbraw/zinc/13/33/22/1072133322.db2.gz ZATLCZUKYLCMPL-UHFFFAOYSA-N -1 0 404.430 -1.894 20 0 HAADRM COc1cccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001142847896 1072134232 /nfs/dbraw/zinc/13/42/32/1072134232.db2.gz JSNDGKPCSNYALJ-DIAXPKBXSA-N -1 0 407.397 -2.019 20 0 HAADRM COc1cccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001142847897 1072134327 /nfs/dbraw/zinc/13/43/27/1072134327.db2.gz JSNDGKPCSNYALJ-GZENYHORSA-N -1 0 407.397 -2.019 20 0 HAADRM O=C(CCCc1ccccc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001142897043 1072134292 /nfs/dbraw/zinc/13/42/92/1072134292.db2.gz FUKPTOQHUBTHFM-BTAUDXDXSA-N -1 0 405.425 -1.248 20 0 HAADRM O=C(CCCc1ccccc1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001142897044 1072134243 /nfs/dbraw/zinc/13/42/43/1072134243.db2.gz FUKPTOQHUBTHFM-JPIRQXTESA-N -1 0 405.425 -1.248 20 0 HAADRM NC(=O)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001142925041 1072134266 /nfs/dbraw/zinc/13/42/66/1072134266.db2.gz KMUPLWDMGKBBMU-DKOVSHIUSA-N -1 0 400.244 -1.976 20 0 HAADRM NC(=O)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001142925044 1072134311 /nfs/dbraw/zinc/13/43/11/1072134311.db2.gz KMUPLWDMGKBBMU-FCBMLWBWSA-N -1 0 400.244 -1.976 20 0 HAADRM CO[C@H](C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccc1 ZINC001143109418 1072135515 /nfs/dbraw/zinc/13/55/15/1072135515.db2.gz BQLWNPHYOKKGRB-BQVODAHPSA-N -1 0 407.397 -1.883 20 0 HAADRM CO[C@H](C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccc1 ZINC001143109419 1072135392 /nfs/dbraw/zinc/13/53/92/1072135392.db2.gz BQLWNPHYOKKGRB-SAAVVOQKSA-N -1 0 407.397 -1.883 20 0 HAADRM O=C(COCc1ccccc1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001143225979 1072135412 /nfs/dbraw/zinc/13/54/12/1072135412.db2.gz FYINWRJVTVWGKH-DIAXPKBXSA-N -1 0 407.397 -2.054 20 0 HAADRM O=C(COCc1ccccc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001143225980 1072135472 /nfs/dbraw/zinc/13/54/72/1072135472.db2.gz FYINWRJVTVWGKH-GZENYHORSA-N -1 0 407.397 -2.054 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cn1 ZINC001143326872 1072136488 /nfs/dbraw/zinc/13/64/88/1072136488.db2.gz NZEHMZLACZADBH-CHWSQXEVSA-N -1 0 418.497 -1.319 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cn1 ZINC001143326877 1072136493 /nfs/dbraw/zinc/13/64/93/1072136493.db2.gz NZEHMZLACZADBH-OLZOCXBDSA-N -1 0 418.497 -1.319 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cn1 ZINC001143326878 1072136503 /nfs/dbraw/zinc/13/65/03/1072136503.db2.gz NZEHMZLACZADBH-QWHCGFSZSA-N -1 0 418.497 -1.319 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cn1 ZINC001143326879 1072136497 /nfs/dbraw/zinc/13/64/97/1072136497.db2.gz NZEHMZLACZADBH-STQMWFEESA-N -1 0 418.497 -1.319 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1CCCS1(=O)=O ZINC001143483506 1070903767 /nfs/dbraw/zinc/90/37/67/1070903767.db2.gz JJIPGYWREVTEDK-CJJMRCJNSA-N -1 0 405.403 -3.693 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1CCCS1(=O)=O ZINC001143483512 1070903248 /nfs/dbraw/zinc/90/32/48/1070903248.db2.gz JJIPGYWREVTEDK-ITNYOOINSA-N -1 0 405.403 -3.693 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1CCCS1(=O)=O ZINC001143483514 1070903661 /nfs/dbraw/zinc/90/36/61/1070903661.db2.gz JJIPGYWREVTEDK-KLLIMFATSA-N -1 0 405.403 -3.693 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1CCCS1(=O)=O ZINC001143483516 1070903788 /nfs/dbraw/zinc/90/37/88/1070903788.db2.gz JJIPGYWREVTEDK-WNBQUBFESA-N -1 0 405.403 -3.693 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCC(=O)NCCN1CCOCC1 ZINC001143965450 1071738519 /nfs/dbraw/zinc/73/85/19/1071738519.db2.gz PUYFIVCBMOLAQP-UHFFFAOYSA-N -1 0 420.438 -1.192 20 0 HAADRM COC(=O)C[C@H](C)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001144389201 1071740095 /nfs/dbraw/zinc/74/00/95/1071740095.db2.gz GRRPJRLHRJAIIT-BOKPKCGUSA-N -1 0 401.390 -2.681 20 0 HAADRM COC(=O)C[C@@H](C)CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001144389202 1071740079 /nfs/dbraw/zinc/74/00/79/1071740079.db2.gz GRRPJRLHRJAIIT-JLTJARBSSA-N -1 0 401.390 -2.681 20 0 HAADRM COC(=O)C[C@@H](C)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001144389203 1071740069 /nfs/dbraw/zinc/74/00/69/1071740069.db2.gz GRRPJRLHRJAIIT-SVTGRPTESA-N -1 0 401.390 -2.681 20 0 HAADRM COC(=O)C[C@H](C)CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001144389204 1071740075 /nfs/dbraw/zinc/74/00/75/1071740075.db2.gz GRRPJRLHRJAIIT-VPMGAUHDSA-N -1 0 401.390 -2.681 20 0 HAADRM C[C@@H](CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccc1 ZINC001144432030 1071740588 /nfs/dbraw/zinc/74/05/88/1071740588.db2.gz FWXVZWCGILCJLJ-BOTYKDAMSA-N -1 0 405.425 -1.077 20 0 HAADRM C[C@H](CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccc1 ZINC001144432031 1071740511 /nfs/dbraw/zinc/74/05/11/1071740511.db2.gz FWXVZWCGILCJLJ-ONOHJARWSA-N -1 0 405.425 -1.077 20 0 HAADRM C[C@@H](CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccc1 ZINC001144432032 1071740430 /nfs/dbraw/zinc/74/04/30/1071740430.db2.gz FWXVZWCGILCJLJ-RLURRDJTSA-N -1 0 405.425 -1.077 20 0 HAADRM C[C@H](CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccc1 ZINC001144432033 1071740498 /nfs/dbraw/zinc/74/04/98/1071740498.db2.gz FWXVZWCGILCJLJ-XQFGPGNGSA-N -1 0 405.425 -1.077 20 0 HAADRM Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001144464934 1071740505 /nfs/dbraw/zinc/74/05/05/1071740505.db2.gz SWJVPQDZXOCOCR-DMZZRIDQSA-N -1 0 405.425 -1.158 20 0 HAADRM Cc1ccc([C@@H](C)C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001144464935 1071740521 /nfs/dbraw/zinc/74/05/21/1071740521.db2.gz SWJVPQDZXOCOCR-NRZSLBKQSA-N -1 0 405.425 -1.158 20 0 HAADRM Cc1ccc([C@H](C)C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001144464936 1071740467 /nfs/dbraw/zinc/74/04/67/1071740467.db2.gz SWJVPQDZXOCOCR-UYDMJJIKSA-N -1 0 405.425 -1.158 20 0 HAADRM Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001144464937 1071740385 /nfs/dbraw/zinc/74/03/85/1071740385.db2.gz SWJVPQDZXOCOCR-XOIZJIEVSA-N -1 0 405.425 -1.158 20 0 HAADRM C[C@H](Oc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001144504386 1071740580 /nfs/dbraw/zinc/74/05/80/1071740580.db2.gz LBKLGEHDUAELAC-CZABUTKJSA-N -1 0 407.397 -1.803 20 0 HAADRM C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001144504387 1071740474 /nfs/dbraw/zinc/74/04/74/1071740474.db2.gz LBKLGEHDUAELAC-IUGFNHFRSA-N -1 0 407.397 -1.803 20 0 HAADRM C[C@H](Oc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001144504388 1071740419 /nfs/dbraw/zinc/74/04/19/1071740419.db2.gz LBKLGEHDUAELAC-NJGCVRGFSA-N -1 0 407.397 -1.803 20 0 HAADRM C[C@@H](Oc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001144504389 1071740443 /nfs/dbraw/zinc/74/04/43/1071740443.db2.gz LBKLGEHDUAELAC-YBQFEDIHSA-N -1 0 407.397 -1.803 20 0 HAADRM CC(C)(Br)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001144566222 1071741028 /nfs/dbraw/zinc/74/10/28/1071741028.db2.gz LTOJGXRGISLONA-FMDGEEDCSA-N -1 0 408.223 -2.097 20 0 HAADRM CC(C)(Br)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001144566223 1071740973 /nfs/dbraw/zinc/74/09/73/1071740973.db2.gz LTOJGXRGISLONA-PVFLNQBWSA-N -1 0 408.223 -2.097 20 0 HAADRM O=C(Cc1ccc(C2CC2)cc1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001144725086 1071741434 /nfs/dbraw/zinc/74/14/34/1071741434.db2.gz PKYWPQMECSEXDW-LMHBHQSJSA-N -1 0 417.436 -1.150 20 0 HAADRM O=C(Cc1ccc(C2CC2)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001144725092 1071741427 /nfs/dbraw/zinc/74/14/27/1071741427.db2.gz PKYWPQMECSEXDW-NHMWIVBRSA-N -1 0 417.436 -1.150 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(Br)CCC1 ZINC001144753611 1071741377 /nfs/dbraw/zinc/74/13/77/1071741377.db2.gz VUMDQQAOCFTUQK-JGKVKWKGSA-N -1 0 420.234 -1.953 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(Br)CCC1 ZINC001144753612 1071741372 /nfs/dbraw/zinc/74/13/72/1071741372.db2.gz VUMDQQAOCFTUQK-OKNNCHMLSA-N -1 0 420.234 -1.953 20 0 HAADRM Cc1ccc(OCCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001144763492 1071741400 /nfs/dbraw/zinc/74/14/00/1071741400.db2.gz CJXCCKBSMGOONN-BTAUDXDXSA-N -1 0 421.424 -1.493 20 0 HAADRM Cc1ccc(OCCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001144763493 1071741358 /nfs/dbraw/zinc/74/13/58/1071741358.db2.gz CJXCCKBSMGOONN-JPIRQXTESA-N -1 0 421.424 -1.493 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC001144773506 1071741413 /nfs/dbraw/zinc/74/14/13/1071741413.db2.gz NJLRIIANWIGOFH-BMFOBDRNSA-N -1 0 421.468 -1.054 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC001144773507 1071741366 /nfs/dbraw/zinc/74/13/66/1071741366.db2.gz NJLRIIANWIGOFH-UQNOEYOMSA-N -1 0 421.468 -1.054 20 0 HAADRM COC(=O)[C@H](CCC(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N)NC(C)=O ZINC001144960245 1071763802 /nfs/dbraw/zinc/76/38/02/1071763802.db2.gz CYIUSYYRKXOWHI-LURJTMIESA-N -1 0 406.377 -2.193 20 0 HAADRM COC(=O)[C@H](CCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])NC(C)=O ZINC001144963346 1071763737 /nfs/dbraw/zinc/76/37/37/1071763737.db2.gz HSRZUAAEISATED-STQMWFEESA-N -1 0 411.415 -1.514 20 0 HAADRM C[C@H]1[C@H](NC(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001146365403 1071770580 /nfs/dbraw/zinc/77/05/80/1071770580.db2.gz QFUFGFNONXHZBG-DWJJEPNESA-N -1 0 420.444 -1.298 20 0 HAADRM O=C(CC1Cc2ccccc2C1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001146809076 1071772170 /nfs/dbraw/zinc/77/21/70/1071772170.db2.gz VJZHNPHXBIGEGQ-LMHBHQSJSA-N -1 0 417.436 -1.465 20 0 HAADRM O=C(CC1Cc2ccccc2C1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001146809077 1071772242 /nfs/dbraw/zinc/77/22/42/1071772242.db2.gz VJZHNPHXBIGEGQ-NHMWIVBRSA-N -1 0 417.436 -1.465 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc(F)ncc1F ZINC001146975501 1071772659 /nfs/dbraw/zinc/77/26/59/1071772659.db2.gz RJISMBJEIXJQRQ-SWRBICTNSA-N -1 0 400.312 -2.283 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc(F)ncc1F ZINC001146975502 1071772844 /nfs/dbraw/zinc/77/28/44/1071772844.db2.gz RJISMBJEIXJQRQ-ZYJZCQHASA-N -1 0 400.312 -2.283 20 0 HAADRM COc1ccc(F)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001147785959 1071775154 /nfs/dbraw/zinc/77/51/54/1071775154.db2.gz YLTRQSFUWCMGHO-GRUBMNGISA-N -1 0 412.348 -2.414 20 0 HAADRM COc1ccc(F)c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001147785962 1071775090 /nfs/dbraw/zinc/77/50/90/1071775090.db2.gz YLTRQSFUWCMGHO-PANHDGANSA-N -1 0 412.348 -2.414 20 0 HAADRM CC(C)(C)c1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001147811380 1071774718 /nfs/dbraw/zinc/77/47/18/1071774718.db2.gz KTKOOMQDUAUIAO-DECHUDPFSA-N -1 0 420.440 -1.264 20 0 HAADRM CC(C)(C)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001147811384 1071774568 /nfs/dbraw/zinc/77/45/68/1071774568.db2.gz KTKOOMQDUAUIAO-RFNSYMJRSA-N -1 0 420.440 -1.264 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cncc(Br)n1 ZINC001147862116 1071775215 /nfs/dbraw/zinc/77/52/15/1071775215.db2.gz MGANOJHZZFKWHC-UHFFFAOYSA-N -1 0 406.178 -1.050 20 0 HAADRM Cn1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c2ccccc21 ZINC001148194749 1071775796 /nfs/dbraw/zinc/77/57/96/1071775796.db2.gz NCCZRZSHILEJIS-PAURTPPISA-N -1 0 416.408 -1.465 20 0 HAADRM Cn1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c2ccccc21 ZINC001148194750 1071775727 /nfs/dbraw/zinc/77/57/27/1071775727.db2.gz NCCZRZSHILEJIS-UTGUJQJDSA-N -1 0 416.408 -1.465 20 0 HAADRM COC(=O)c1ccccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001148239370 1071775665 /nfs/dbraw/zinc/77/56/65/1071775665.db2.gz MFZAQRVHZKRQJR-ACVJOUTJSA-N -1 0 421.380 -2.170 20 0 HAADRM COC(=O)c1ccccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001148239375 1071775765 /nfs/dbraw/zinc/77/57/65/1071775765.db2.gz MFZAQRVHZKRQJR-LEQHPZHVSA-N -1 0 421.380 -2.170 20 0 HAADRM CNC(=O)CN1CCN(C(=O)c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1 ZINC001148276075 1071776243 /nfs/dbraw/zinc/77/62/43/1071776243.db2.gz WJXIORCYVBIRLD-UHFFFAOYSA-N -1 0 417.470 -1.389 20 0 HAADRM CC(=O)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001148311526 1071776220 /nfs/dbraw/zinc/77/62/20/1071776220.db2.gz SQHLQBBANUUTAC-FTQJZPFOSA-N -1 0 405.381 -1.754 20 0 HAADRM CC(=O)c1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001148311527 1071776282 /nfs/dbraw/zinc/77/62/82/1071776282.db2.gz SQHLQBBANUUTAC-HVNMYJMUSA-N -1 0 405.381 -1.754 20 0 HAADRM CS(=O)(=O)c1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001148344637 1071776286 /nfs/dbraw/zinc/77/62/86/1071776286.db2.gz LNUHJXUCPOQDHD-UHFFFAOYSA-N -1 0 403.398 -1.199 20 0 HAADRM CC(C)Oc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001148403658 1071776207 /nfs/dbraw/zinc/77/62/07/1071776207.db2.gz VAGNSNHFCURCLV-PAURTPPISA-N -1 0 421.424 -1.169 20 0 HAADRM CC(C)Oc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001148403659 1071776176 /nfs/dbraw/zinc/77/61/76/1071776176.db2.gz VAGNSNHFCURCLV-UTGUJQJDSA-N -1 0 421.424 -1.169 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc(Cl)ccc1F ZINC001148434677 1071776300 /nfs/dbraw/zinc/77/63/00/1071776300.db2.gz IOGCODGIZXJSCU-CJJWORHMSA-N -1 0 415.779 -1.164 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc(Cl)ccc1F ZINC001148434682 1071776185 /nfs/dbraw/zinc/77/61/85/1071776185.db2.gz IOGCODGIZXJSCU-VDWIVTDKSA-N -1 0 415.779 -1.164 20 0 HAADRM COCc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001148457247 1071776192 /nfs/dbraw/zinc/77/61/92/1071776192.db2.gz XMQJZCWZANFBPQ-FTQJZPFOSA-N -1 0 407.397 -1.810 20 0 HAADRM COCc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001148457255 1071776226 /nfs/dbraw/zinc/77/62/26/1071776226.db2.gz XMQJZCWZANFBPQ-HVNMYJMUSA-N -1 0 407.397 -1.810 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccc1C1CC1 ZINC001148481388 1071776210 /nfs/dbraw/zinc/77/62/10/1071776210.db2.gz CCUSNXXRDPYDFT-PAURTPPISA-N -1 0 403.409 -1.079 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccc1C1CC1 ZINC001148481389 1071776238 /nfs/dbraw/zinc/77/62/38/1071776238.db2.gz CCUSNXXRDPYDFT-UTGUJQJDSA-N -1 0 403.409 -1.079 20 0 HAADRM COc1cc(C)ccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001148576070 1071776962 /nfs/dbraw/zinc/77/69/62/1071776962.db2.gz ABWNFIXFGRCQHT-FTQJZPFOSA-N -1 0 407.397 -1.640 20 0 HAADRM COc1cc(C)ccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001148576076 1071776757 /nfs/dbraw/zinc/77/67/57/1071776757.db2.gz ABWNFIXFGRCQHT-HVNMYJMUSA-N -1 0 407.397 -1.640 20 0 HAADRM Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccc(F)c1F ZINC001148607480 1071776804 /nfs/dbraw/zinc/77/68/04/1071776804.db2.gz FJUSXZSHEIXLSD-MNNAQAQOSA-N -1 0 413.351 -1.370 20 0 HAADRM Cc1c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccc(F)c1F ZINC001148607481 1071776787 /nfs/dbraw/zinc/77/67/87/1071776787.db2.gz FJUSXZSHEIXLSD-PDOXLSOOSA-N -1 0 413.351 -1.370 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2c1CCCC2 ZINC001148638495 1071776740 /nfs/dbraw/zinc/77/67/40/1071776740.db2.gz YEVFEVXUXKHIOU-DRXUAVOGSA-N -1 0 417.436 -1.078 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2c1CCCC2 ZINC001148638498 1071776908 /nfs/dbraw/zinc/77/69/08/1071776908.db2.gz YEVFEVXUXKHIOU-IETPZCKNSA-N -1 0 417.436 -1.078 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148885172 1071776971 /nfs/dbraw/zinc/77/69/71/1071776971.db2.gz FVHSFSZTSYZGJS-UHFFFAOYSA-N -1 0 420.363 -1.174 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2ccccc2c1 ZINC001149138734 1072136942 /nfs/dbraw/zinc/13/69/42/1072136942.db2.gz FXDVQUBTEUANGJ-PAURTPPISA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2ccccc2c1 ZINC001149138837 1072136923 /nfs/dbraw/zinc/13/69/23/1072136923.db2.gz FXDVQUBTEUANGJ-UTGUJQJDSA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1nccc2ccccc21 ZINC001149158538 1072136983 /nfs/dbraw/zinc/13/69/83/1072136983.db2.gz YXXYEMPVBCWYDL-GGXZVJIVSA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1nccc2ccccc21 ZINC001149158539 1072136869 /nfs/dbraw/zinc/13/68/69/1072136869.db2.gz YXXYEMPVBCWYDL-VPOMQUIYSA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2c(c1)OCO2 ZINC001149173532 1072136916 /nfs/dbraw/zinc/13/69/16/1072136916.db2.gz HFYLDNJCRWABGL-CBLPJQPBSA-N -1 0 407.353 -2.228 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2c(c1)OCO2 ZINC001149173536 1072136891 /nfs/dbraw/zinc/13/68/91/1072136891.db2.gz HFYLDNJCRWABGL-SKENRDBWSA-N -1 0 407.353 -2.228 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2c1OCC2 ZINC001149186356 1072137448 /nfs/dbraw/zinc/13/74/48/1072137448.db2.gz OTHVWROJLIOMLO-ACVJOUTJSA-N -1 0 405.381 -2.022 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2c1OCC2 ZINC001149186358 1072137460 /nfs/dbraw/zinc/13/74/60/1072137460.db2.gz OTHVWROJLIOMLO-LEQHPZHVSA-N -1 0 405.381 -2.022 20 0 HAADRM Cn1ccc2cc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)ccc21 ZINC001149242043 1072137414 /nfs/dbraw/zinc/13/74/14/1072137414.db2.gz LEEXAKKFPZCLJC-PAURTPPISA-N -1 0 416.408 -1.465 20 0 HAADRM Cn1ccc2cc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)ccc21 ZINC001149242045 1072137426 /nfs/dbraw/zinc/13/74/26/1072137426.db2.gz LEEXAKKFPZCLJC-UTGUJQJDSA-N -1 0 416.408 -1.465 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnn2ccccc12 ZINC001149259488 1072137394 /nfs/dbraw/zinc/13/73/94/1072137394.db2.gz ZKKOXGSOZVPUHC-CBLPJQPBSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnn2ccccc12 ZINC001149259489 1072137398 /nfs/dbraw/zinc/13/73/98/1072137398.db2.gz ZKKOXGSOZVPUHC-SKENRDBWSA-N -1 0 403.369 -2.309 20 0 HAADRM Cc1c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc2ccccn12 ZINC001149275668 1072137407 /nfs/dbraw/zinc/13/74/07/1072137407.db2.gz BWMZUAIHHNMEFR-OGQWOQGMSA-N -1 0 417.396 -2.000 20 0 HAADRM Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc2ccccn12 ZINC001149275669 1072137457 /nfs/dbraw/zinc/13/74/57/1072137457.db2.gz BWMZUAIHHNMEFR-ZSTIDAEKSA-N -1 0 417.396 -2.000 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2ocnc2c1 ZINC001149392314 1072137381 /nfs/dbraw/zinc/13/73/81/1072137381.db2.gz HNVZGDIAYOLVLY-CBLPJQPBSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2ocnc2c1 ZINC001149392322 1072137429 /nfs/dbraw/zinc/13/74/29/1072137429.db2.gz HNVZGDIAYOLVLY-SKENRDBWSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2nonc2c1 ZINC001149428778 1072137392 /nfs/dbraw/zinc/13/73/92/1072137392.db2.gz KBLLWIQCXXYBKZ-CJJWORHMSA-N -1 0 405.341 -2.420 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2nonc2c1 ZINC001149428779 1072137386 /nfs/dbraw/zinc/13/73/86/1072137386.db2.gz KBLLWIQCXXYBKZ-VDWIVTDKSA-N -1 0 405.341 -2.420 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnnc2ccccc21 ZINC001149478598 1072137439 /nfs/dbraw/zinc/13/74/39/1072137439.db2.gz BWNQUBRJPZLJMP-FTQJZPFOSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnnc2ccccc21 ZINC001149478599 1072137935 /nfs/dbraw/zinc/13/79/35/1072137935.db2.gz BWNQUBRJPZLJMP-HVNMYJMUSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2cccnc2s1 ZINC001149544911 1072137877 /nfs/dbraw/zinc/13/78/77/1072137877.db2.gz PNMCKMOYPGKMAR-JSCYOIMZSA-N -1 0 420.421 -1.347 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2cccnc2s1 ZINC001149544912 1072137928 /nfs/dbraw/zinc/13/79/28/1072137928.db2.gz PNMCKMOYPGKMAR-RDROLGDGSA-N -1 0 420.421 -1.347 20 0 HAADRM Cn1nc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c2ccccc21 ZINC001149794402 1072137955 /nfs/dbraw/zinc/13/79/55/1072137955.db2.gz QVAMNSOFFXVCMC-DECHUDPFSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1nc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c2ccccc21 ZINC001149794403 1072137920 /nfs/dbraw/zinc/13/79/20/1072137920.db2.gz QVAMNSOFFXVCMC-RFNSYMJRSA-N -1 0 417.396 -2.070 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1 ZINC001150407298 1072139654 /nfs/dbraw/zinc/13/96/54/1072139654.db2.gz PZJHBXNAGGLNCQ-UHFFFAOYSA-N -1 0 406.486 -1.137 20 0 HAADRM CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N[C@@H]4CO[N-]C4=O)cn32)C1 ZINC001150420994 1072139503 /nfs/dbraw/zinc/13/95/03/1072139503.db2.gz DFTXGHRDYLUSRF-CHWSQXEVSA-N -1 0 416.442 -1.141 20 0 HAADRM CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N[C@@H]4CO[N-]C4=O)cn32)C1 ZINC001150421002 1072139608 /nfs/dbraw/zinc/13/96/08/1072139608.db2.gz DFTXGHRDYLUSRF-OLZOCXBDSA-N -1 0 416.442 -1.141 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnn2cccnc12 ZINC001150661105 1072140493 /nfs/dbraw/zinc/14/04/93/1072140493.db2.gz YCDMREXWBCAAPT-ACDNLYMZSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnn2cccnc12 ZINC001150661114 1072141003 /nfs/dbraw/zinc/14/10/03/1072141003.db2.gz YCDMREXWBCAAPT-RGXSPZPFSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2ncccn2n1 ZINC001150691617 1072140925 /nfs/dbraw/zinc/14/09/25/1072140925.db2.gz IVOVBVVAFTZKEQ-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2ncccn2n1 ZINC001150691619 1072140960 /nfs/dbraw/zinc/14/09/60/1072140960.db2.gz IVOVBVVAFTZKEQ-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2c(s1)CCCC2 ZINC001150815982 1072140989 /nfs/dbraw/zinc/14/09/89/1072140989.db2.gz PLUXJIGWCLZRKR-OGQWOQGMSA-N -1 0 423.465 -1.016 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2c(s1)CCCC2 ZINC001150815983 1072140933 /nfs/dbraw/zinc/14/09/33/1072140933.db2.gz PLUXJIGWCLZRKR-ZSTIDAEKSA-N -1 0 423.465 -1.016 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cn2cccnc2n1 ZINC001150842847 1072140999 /nfs/dbraw/zinc/14/09/99/1072140999.db2.gz XIXRQRLACOPXQD-CDPPZIPSSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cn2cccnc2n1 ZINC001150842850 1072140973 /nfs/dbraw/zinc/14/09/73/1072140973.db2.gz XIXRQRLACOPXQD-SANCVJEGSA-N -1 0 404.357 -2.914 20 0 HAADRM Cc1ccc2nc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cn2c1 ZINC001150889326 1072140902 /nfs/dbraw/zinc/14/09/02/1072140902.db2.gz CEBZAAXRHMAVPA-DECHUDPFSA-N -1 0 417.396 -2.000 20 0 HAADRM Cc1ccc2nc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cn2c1 ZINC001150889327 1072140923 /nfs/dbraw/zinc/14/09/23/1072140923.db2.gz CEBZAAXRHMAVPA-RFNSYMJRSA-N -1 0 417.396 -2.000 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cncc2ccccc21 ZINC001150929778 1072141007 /nfs/dbraw/zinc/14/10/07/1072141007.db2.gz VRPFOWHLGHZIOJ-PAURTPPISA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cncc2ccccc21 ZINC001150929779 1072141020 /nfs/dbraw/zinc/14/10/20/1072141020.db2.gz VRPFOWHLGHZIOJ-UTGUJQJDSA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1csc2c1CCCC2 ZINC001150986599 1072140938 /nfs/dbraw/zinc/14/09/38/1072140938.db2.gz VBXOTLZLUGHZHP-DECHUDPFSA-N -1 0 423.465 -1.016 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1csc2c1CCCC2 ZINC001150986600 1072140993 /nfs/dbraw/zinc/14/09/93/1072140993.db2.gz VBXOTLZLUGHZHP-RFNSYMJRSA-N -1 0 423.465 -1.016 20 0 HAADRM Cc1cnc2c(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cnn2c1 ZINC001151148660 1072141500 /nfs/dbraw/zinc/14/15/00/1072141500.db2.gz OORMUWQASMZUQW-GIBVNIFISA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cnc2c(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cnn2c1 ZINC001151148667 1072141881 /nfs/dbraw/zinc/14/18/81/1072141881.db2.gz OORMUWQASMZUQW-GOBQNSBTSA-N -1 0 418.384 -2.605 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccn2ccnc2c1 ZINC001151335934 1072141787 /nfs/dbraw/zinc/14/17/87/1072141787.db2.gz PXIVQPKPQFRWIZ-MNNAQAQOSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccn2ccnc2c1 ZINC001151335935 1072141862 /nfs/dbraw/zinc/14/18/62/1072141862.db2.gz PXIVQPKPQFRWIZ-PDOXLSOOSA-N -1 0 403.369 -2.309 20 0 HAADRM Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cnc2ccnn21 ZINC001151434523 1072141757 /nfs/dbraw/zinc/14/17/57/1072141757.db2.gz RBHZHVVGCYGDKW-MNNAQAQOSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cnc2ccnn21 ZINC001151434524 1072141795 /nfs/dbraw/zinc/14/17/95/1072141795.db2.gz RBHZHVVGCYGDKW-PDOXLSOOSA-N -1 0 418.384 -2.605 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2ccncc2c1 ZINC001151451301 1072141844 /nfs/dbraw/zinc/14/18/44/1072141844.db2.gz QFNITNDDQSPRTN-FTQJZPFOSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2ccncc2c1 ZINC001151451302 1072141888 /nfs/dbraw/zinc/14/18/88/1072141888.db2.gz QFNITNDDQSPRTN-HVNMYJMUSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccn2ccnc12 ZINC001151482803 1072141775 /nfs/dbraw/zinc/14/17/75/1072141775.db2.gz LXGQZQWQZVQYMA-GIBVNIFISA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccn2ccnc12 ZINC001151482804 1072141839 /nfs/dbraw/zinc/14/18/39/1072141839.db2.gz LXGQZQWQZVQYMA-GOBQNSBTSA-N -1 0 403.369 -2.309 20 0 HAADRM Cn1cc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cc2n1 ZINC001151520207 1072141834 /nfs/dbraw/zinc/14/18/34/1072141834.db2.gz PQYNDRWYHWZXTN-FTQJZPFOSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1cc2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cc2n1 ZINC001151520209 1072141816 /nfs/dbraw/zinc/14/18/16/1072141816.db2.gz PQYNDRWYHWZXTN-HVNMYJMUSA-N -1 0 417.396 -2.070 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ncnc2ccsc21 ZINC001151537385 1072141766 /nfs/dbraw/zinc/14/17/66/1072141766.db2.gz MZORAUONLOYIKV-KWGHVAAJSA-N -1 0 421.409 -1.952 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ncnc2ccsc21 ZINC001151537388 1072141858 /nfs/dbraw/zinc/14/18/58/1072141858.db2.gz MZORAUONLOYIKV-PCQSUOBHSA-N -1 0 421.409 -1.952 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2nncn2c1 ZINC001151678403 1072142383 /nfs/dbraw/zinc/14/23/83/1072142383.db2.gz IWYWSRJOMBTCOQ-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2nncn2c1 ZINC001151678405 1072142374 /nfs/dbraw/zinc/14/23/74/1072142374.db2.gz IWYWSRJOMBTCOQ-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2ccccc2cn1 ZINC001151699339 1071860636 /nfs/dbraw/zinc/86/06/36/1071860636.db2.gz CGOYZONWCRYEIH-PAURTPPISA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2ccccc2cn1 ZINC001151699340 1072142371 /nfs/dbraw/zinc/14/23/71/1072142371.db2.gz CGOYZONWCRYEIH-UTGUJQJDSA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2nccn2n1 ZINC001151728128 1072142377 /nfs/dbraw/zinc/14/23/77/1072142377.db2.gz RNMCJJWWRARURK-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2nccn2n1 ZINC001151728129 1072142357 /nfs/dbraw/zinc/14/23/57/1072142357.db2.gz RNMCJJWWRARURK-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2ncncc2c1 ZINC001151780521 1072142323 /nfs/dbraw/zinc/14/23/23/1072142323.db2.gz PNMJEHMWKRICRD-FTQJZPFOSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2ncncc2c1 ZINC001151780522 1072142397 /nfs/dbraw/zinc/14/23/97/1072142397.db2.gz PNMJEHMWKRICRD-HVNMYJMUSA-N -1 0 415.380 -2.013 20 0 HAADRM Cn1ccc2c1nccc2C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001151802228 1072142394 /nfs/dbraw/zinc/14/23/94/1072142394.db2.gz OKRXTFDXQYTTQL-ACVJOUTJSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1ccc2c1nccc2C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001151802229 1072142390 /nfs/dbraw/zinc/14/23/90/1072142390.db2.gz OKRXTFDXQYTTQL-LEQHPZHVSA-N -1 0 417.396 -2.070 20 0 HAADRM Cc1nc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cc2o1 ZINC001152121920 1072142816 /nfs/dbraw/zinc/14/28/16/1072142816.db2.gz RJVCTJQXIIUAKA-FTQJZPFOSA-N -1 0 418.380 -1.507 20 0 HAADRM Cc1nc2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cc2o1 ZINC001152121921 1072142777 /nfs/dbraw/zinc/14/27/77/1072142777.db2.gz RJVCTJQXIIUAKA-HVNMYJMUSA-N -1 0 418.380 -1.507 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2sccn12 ZINC001152226987 1072142832 /nfs/dbraw/zinc/14/28/32/1072142832.db2.gz OXWSHYXEAGNMAL-UEWQFTGXSA-N -1 0 409.398 -2.247 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2sccn12 ZINC001152226991 1072142840 /nfs/dbraw/zinc/14/28/40/1072142840.db2.gz OXWSHYXEAGNMAL-VCMDJLOCSA-N -1 0 409.398 -2.247 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccn2cnnc12 ZINC001152398017 1072143380 /nfs/dbraw/zinc/14/33/80/1072143380.db2.gz GBYUIPRLKQKKED-ACDNLYMZSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccn2cnnc12 ZINC001152398018 1072143323 /nfs/dbraw/zinc/14/33/23/1072143323.db2.gz GBYUIPRLKQKKED-RGXSPZPFSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cn2cnccc2n1 ZINC001152493406 1072143386 /nfs/dbraw/zinc/14/33/86/1072143386.db2.gz WMSQYHXHPNBSLO-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cn2cnccc2n1 ZINC001152493408 1072143334 /nfs/dbraw/zinc/14/33/34/1072143334.db2.gz WMSQYHXHPNBSLO-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc2n(c1=O)CCS2 ZINC001152495971 1072143390 /nfs/dbraw/zinc/14/33/90/1072143390.db2.gz UVNAQRCRYINRNQ-UHFFFAOYSA-N -1 0 401.386 -1.941 20 0 HAADRM C[C@@H]1O[C@@H](OCCNC(=O)c2sc(C(=O)[O-])c3c2OCCO3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001152715047 1072143892 /nfs/dbraw/zinc/14/38/92/1072143892.db2.gz KYUDFSWEUUBFKR-PBXILDISSA-N -1 0 419.408 -1.209 20 0 HAADRM Cn1nnc2c(C(=O)Nc3ccc(CC(=O)[N-]S(C)(=O)=O)cc3)ncn2c1=O ZINC001152755554 1072145115 /nfs/dbraw/zinc/14/51/15/1072145115.db2.gz LYZKAMFOVPWSDN-UHFFFAOYSA-N -1 0 405.396 -1.306 20 0 HAADRM Cn1nnc2c(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])ncn2c1=O ZINC001152760078 1072145165 /nfs/dbraw/zinc/14/51/65/1072145165.db2.gz PMGDRHAYVQEZAY-VIFPVBQESA-N -1 0 403.359 -2.522 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccn2nccc2c1 ZINC001152848743 1072145119 /nfs/dbraw/zinc/14/51/19/1072145119.db2.gz VPTQWZJTLNXDME-CBLPJQPBSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccn2nccc2c1 ZINC001152848745 1072145180 /nfs/dbraw/zinc/14/51/80/1072145180.db2.gz VPTQWZJTLNXDME-SKENRDBWSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2ncnn2c1 ZINC001152863021 1071896414 /nfs/dbraw/zinc/89/64/14/1071896414.db2.gz IVOJXFCTZLHLNB-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2ncnn2c1 ZINC001152863022 1071896321 /nfs/dbraw/zinc/89/63/21/1071896321.db2.gz IVOJXFCTZLHLNB-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2ncnn21 ZINC001152894388 1072145138 /nfs/dbraw/zinc/14/51/38/1072145138.db2.gz KVZFUPYTSAUCEE-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2ncnn21 ZINC001152894389 1072145124 /nfs/dbraw/zinc/14/51/24/1072145124.db2.gz KVZFUPYTSAUCEE-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ncn2ccccc12 ZINC001153043155 1072145500 /nfs/dbraw/zinc/14/55/00/1072145500.db2.gz AFXJNCCVTWLUTC-MNNAQAQOSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ncn2ccccc12 ZINC001153043156 1072146047 /nfs/dbraw/zinc/14/60/47/1072146047.db2.gz AFXJNCCVTWLUTC-PDOXLSOOSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2ccnn2c1 ZINC001153063132 1072146087 /nfs/dbraw/zinc/14/60/87/1072146087.db2.gz MGCFHOGQEUONQL-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2ccnn2c1 ZINC001153063133 1072146108 /nfs/dbraw/zinc/14/61/08/1072146108.db2.gz MGCFHOGQEUONQL-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2ccncc2cn1 ZINC001153080182 1072146111 /nfs/dbraw/zinc/14/61/11/1072146111.db2.gz QFDHNZAGNRNMPD-FTQJZPFOSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2ccncc2cn1 ZINC001153080183 1072146066 /nfs/dbraw/zinc/14/60/66/1072146066.db2.gz QFDHNZAGNRNMPD-HVNMYJMUSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2ccoc2cn1 ZINC001153320569 1072146407 /nfs/dbraw/zinc/14/64/07/1072146407.db2.gz UBLDIAKBWRRWFF-CBLPJQPBSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2ccoc2cn1 ZINC001153320570 1072146517 /nfs/dbraw/zinc/14/65/17/1072146517.db2.gz UBLDIAKBWRRWFF-SKENRDBWSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2c(c1)OCC2 ZINC001153367088 1072146542 /nfs/dbraw/zinc/14/65/42/1072146542.db2.gz LELWWXJQCUWICI-FTQJZPFOSA-N -1 0 405.381 -2.022 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2c(c1)OCC2 ZINC001153367089 1072146481 /nfs/dbraw/zinc/14/64/81/1072146481.db2.gz LELWWXJQCUWICI-HVNMYJMUSA-N -1 0 405.381 -2.022 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cn2c(n1)CCCC2 ZINC001153411506 1072146458 /nfs/dbraw/zinc/14/64/58/1072146458.db2.gz IKGBWAMNCLVTCG-MNNAQAQOSA-N -1 0 407.401 -2.424 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cn2c(n1)CCCC2 ZINC001153411507 1072146537 /nfs/dbraw/zinc/14/65/37/1072146537.db2.gz IKGBWAMNCLVTCG-PDOXLSOOSA-N -1 0 407.401 -2.424 20 0 HAADRM Cn1nc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c2c1CCCC2 ZINC001153551215 1072146511 /nfs/dbraw/zinc/14/65/11/1072146511.db2.gz KQJBXOPFOIJDOU-DECHUDPFSA-N -1 0 421.428 -2.344 20 0 HAADRM Cn1nc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c2c1CCCC2 ZINC001153551217 1072146492 /nfs/dbraw/zinc/14/64/92/1072146492.db2.gz KQJBXOPFOIJDOU-RFNSYMJRSA-N -1 0 421.428 -2.344 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2ccnn21 ZINC001153567055 1072146522 /nfs/dbraw/zinc/14/65/22/1072146522.db2.gz VLUGYBSHXAHSOB-CBLPJQPBSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2ccnn21 ZINC001153567056 1072146548 /nfs/dbraw/zinc/14/65/48/1072146548.db2.gz VLUGYBSHXAHSOB-SKENRDBWSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1nc2ccccc2o1 ZINC001153586950 1072147034 /nfs/dbraw/zinc/14/70/34/1072147034.db2.gz KJUYNHQHTQFNIF-GIBVNIFISA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1nc2ccccc2o1 ZINC001153586951 1072147069 /nfs/dbraw/zinc/14/70/69/1072147069.db2.gz KJUYNHQHTQFNIF-GOBQNSBTSA-N -1 0 404.353 -1.815 20 0 HAADRM Cc1cn2cccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2n1 ZINC001153601534 1072147011 /nfs/dbraw/zinc/14/70/11/1072147011.db2.gz OXGSXWWACRUZMA-ACVJOUTJSA-N -1 0 417.396 -2.000 20 0 HAADRM Cc1cn2cccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2n1 ZINC001153601535 1072146998 /nfs/dbraw/zinc/14/69/98/1072146998.db2.gz OXGSXWWACRUZMA-LEQHPZHVSA-N -1 0 417.396 -2.000 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1scc2c1CCCC2 ZINC001153628378 1072147092 /nfs/dbraw/zinc/14/70/92/1072147092.db2.gz KNBUJHJMUBNTJI-ACVJOUTJSA-N -1 0 423.465 -1.016 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1scc2c1CCCC2 ZINC001153628380 1072146969 /nfs/dbraw/zinc/14/69/69/1072146969.db2.gz KNBUJHJMUBNTJI-LEQHPZHVSA-N -1 0 423.465 -1.016 20 0 HAADRM Cn1c2ccccc2nc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001153646435 1072146912 /nfs/dbraw/zinc/14/69/12/1072146912.db2.gz WLRORRPKROVWLZ-ACVJOUTJSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1c2ccccc2nc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001153646436 1072147072 /nfs/dbraw/zinc/14/70/72/1072147072.db2.gz WLRORRPKROVWLZ-LEQHPZHVSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1ncc2cccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c21 ZINC001153692716 1072146925 /nfs/dbraw/zinc/14/69/25/1072146925.db2.gz UQECXDZHULMIRB-WHLPLNIVSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1ncc2cccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c21 ZINC001153692718 1072147076 /nfs/dbraw/zinc/14/70/76/1072147076.db2.gz UQECXDZHULMIRB-ZUJPDMLGSA-N -1 0 417.396 -2.070 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2ncccc2o1 ZINC001153706647 1072147085 /nfs/dbraw/zinc/14/70/85/1072147085.db2.gz WCLZIPXEHGVCPS-CBLPJQPBSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2ncccc2o1 ZINC001153706649 1072147102 /nfs/dbraw/zinc/14/71/02/1072147102.db2.gz WCLZIPXEHGVCPS-SKENRDBWSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2ncccc2c1 ZINC001153774741 1072147106 /nfs/dbraw/zinc/14/71/06/1072147106.db2.gz RHACVYYSFVMPCP-ACVJOUTJSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2ncccc2c1 ZINC001153774742 1072146892 /nfs/dbraw/zinc/14/68/92/1072146892.db2.gz RHACVYYSFVMPCP-LEQHPZHVSA-N -1 0 415.380 -2.013 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n2nccc2n1 ZINC001153989006 1072147506 /nfs/dbraw/zinc/14/75/06/1072147506.db2.gz PXHAVAKQGCZTTR-MNNAQAQOSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n2nccc2n1 ZINC001153989010 1072147525 /nfs/dbraw/zinc/14/75/25/1072147525.db2.gz PXHAVAKQGCZTTR-PDOXLSOOSA-N -1 0 418.384 -2.605 20 0 HAADRM CN1CCc2c1cccc2C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001154157582 1072147996 /nfs/dbraw/zinc/14/79/96/1072147996.db2.gz FFXSTYNQGZOIIC-PAURTPPISA-N -1 0 418.424 -1.964 20 0 HAADRM CN1CCc2c1cccc2C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001154157586 1072147962 /nfs/dbraw/zinc/14/79/62/1072147962.db2.gz FFXSTYNQGZOIIC-UTGUJQJDSA-N -1 0 418.424 -1.964 20 0 HAADRM CN1CCc2nc(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)sc2C1 ZINC001154213474 1072147986 /nfs/dbraw/zinc/14/79/86/1072147986.db2.gz IVVIVWZICVEOGD-UHFFFAOYSA-N -1 0 401.430 -1.159 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1nc2ccccn2c1F ZINC001154248771 1072148334 /nfs/dbraw/zinc/14/83/34/1072148334.db2.gz DVYZIFYKYLHVLE-KZZVGLOUSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1nc2ccccn2c1F ZINC001154248772 1072148362 /nfs/dbraw/zinc/14/83/62/1072148362.db2.gz DVYZIFYKYLHVLE-RYDHXWIVSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccnc2cccnc21 ZINC001154311644 1072148262 /nfs/dbraw/zinc/14/82/62/1072148262.db2.gz FNRGWJVMDKLDAJ-DECHUDPFSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccnc2cccnc21 ZINC001154311645 1072148356 /nfs/dbraw/zinc/14/83/56/1072148356.db2.gz FNRGWJVMDKLDAJ-RFNSYMJRSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccnc2ncccc21 ZINC001154341895 1072148317 /nfs/dbraw/zinc/14/83/17/1072148317.db2.gz BGOXROSZUWWOBM-ACVJOUTJSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccnc2ncccc21 ZINC001154341896 1072148305 /nfs/dbraw/zinc/14/83/05/1072148305.db2.gz BGOXROSZUWWOBM-LEQHPZHVSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1onc2ccccc21 ZINC001154379943 1072148321 /nfs/dbraw/zinc/14/83/21/1072148321.db2.gz SHODFHGWJMXUFS-GIBVNIFISA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1onc2ccccc21 ZINC001154379944 1072148216 /nfs/dbraw/zinc/14/82/16/1072148216.db2.gz SHODFHGWJMXUFS-GOBQNSBTSA-N -1 0 404.353 -1.815 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2c1C(=O)CC2 ZINC001154408964 1072148387 /nfs/dbraw/zinc/14/83/87/1072148387.db2.gz GSPGJZXESKCBOE-GGXZVJIVSA-N -1 0 417.392 -1.828 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2c1C(=O)CC2 ZINC001154408965 1072148279 /nfs/dbraw/zinc/14/82/79/1072148279.db2.gz GSPGJZXESKCBOE-VPOMQUIYSA-N -1 0 417.392 -1.828 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc2nccn21 ZINC001154437558 1072148938 /nfs/dbraw/zinc/14/89/38/1072148938.db2.gz DENMCIYTFCMILE-CJJWORHMSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc2nccn21 ZINC001154437559 1072148785 /nfs/dbraw/zinc/14/87/85/1072148785.db2.gz DENMCIYTFCMILE-VDWIVTDKSA-N -1 0 418.384 -2.605 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2nccn21 ZINC001154525349 1072148879 /nfs/dbraw/zinc/14/88/79/1072148879.db2.gz BJNRYZWEYGRJCD-MNNAQAQOSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2nccn21 ZINC001154525352 1072148926 /nfs/dbraw/zinc/14/89/26/1072148926.db2.gz BJNRYZWEYGRJCD-PDOXLSOOSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cn2cccc(F)c2n1 ZINC001154548154 1072148933 /nfs/dbraw/zinc/14/89/33/1072148933.db2.gz QJFLTGAZNPKYJB-GIBVNIFISA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cn2cccc(F)c2n1 ZINC001154548155 1072148801 /nfs/dbraw/zinc/14/88/01/1072148801.db2.gz QJFLTGAZNPKYJB-GOBQNSBTSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2cccnn2c1 ZINC001154591865 1072148945 /nfs/dbraw/zinc/14/89/45/1072148945.db2.gz VDXYSMVPDXEZEI-CBLPJQPBSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2cccnn2c1 ZINC001154591866 1072148865 /nfs/dbraw/zinc/14/88/65/1072148865.db2.gz VDXYSMVPDXEZEI-SKENRDBWSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2ccncc2c1 ZINC001154602340 1072148842 /nfs/dbraw/zinc/14/88/42/1072148842.db2.gz AAYGCNDUJRDQEM-PAURTPPISA-N -1 0 414.392 -1.408 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2ccncc2c1 ZINC001154602341 1072148942 /nfs/dbraw/zinc/14/89/42/1072148942.db2.gz AAYGCNDUJRDQEM-UTGUJQJDSA-N -1 0 414.392 -1.408 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001154628170 1072148815 /nfs/dbraw/zinc/14/88/15/1072148815.db2.gz SHYDRXOBQWWAFN-UHFFFAOYSA-N -1 0 413.397 -1.164 20 0 HAADRM O=C([C@H]1CCS(=O)(=O)N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001154702418 1072149488 /nfs/dbraw/zinc/14/94/88/1072149488.db2.gz MVMCXKOLVBYSKZ-SECBINFHSA-N -1 0 408.424 -1.345 20 0 HAADRM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001154702441 1072149338 /nfs/dbraw/zinc/14/93/38/1072149338.db2.gz MVMCXKOLVBYSKZ-VIFPVBQESA-N -1 0 408.424 -1.345 20 0 HAADRM Cn1nc2c(c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)CCC2 ZINC001154845370 1072149483 /nfs/dbraw/zinc/14/94/83/1072149483.db2.gz CZCCXIVTZQDXIP-FJBPVTJJSA-N -1 0 407.401 -2.734 20 0 HAADRM Cn1nc2c(c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)CCC2 ZINC001154845371 1072149329 /nfs/dbraw/zinc/14/93/29/1072149329.db2.gz CZCCXIVTZQDXIP-ORMWDYAWSA-N -1 0 407.401 -2.734 20 0 HAADRM Cn1cnc2c1cccc2C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001155004174 1072149875 /nfs/dbraw/zinc/14/98/75/1072149875.db2.gz FBXYTYPSCFZXOP-DECHUDPFSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1cnc2c1cccc2C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001155004175 1072149926 /nfs/dbraw/zinc/14/99/26/1072149926.db2.gz FBXYTYPSCFZXOP-RFNSYMJRSA-N -1 0 417.396 -2.070 20 0 HAADRM Cc1ccn2c(c1)ncc2C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001155349264 1072150457 /nfs/dbraw/zinc/15/04/57/1072150457.db2.gz OTADUIOIFUBPOX-DECHUDPFSA-N -1 0 417.396 -2.000 20 0 HAADRM Cc1ccn2c(c1)ncc2C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001155349265 1072150436 /nfs/dbraw/zinc/15/04/36/1072150436.db2.gz OTADUIOIFUBPOX-RFNSYMJRSA-N -1 0 417.396 -2.000 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1nnc2ccccn21 ZINC001155392365 1072150401 /nfs/dbraw/zinc/15/04/01/1072150401.db2.gz TWFVBQXARXDBFM-ABDJVACUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1nnc2ccccn21 ZINC001155392366 1072150377 /nfs/dbraw/zinc/15/03/77/1072150377.db2.gz TWFVBQXARXDBFM-RRDYINPDSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccn2ncnc2c1 ZINC001155594246 1072150453 /nfs/dbraw/zinc/15/04/53/1072150453.db2.gz NZEFTTMOENJWLT-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccn2ncnc2c1 ZINC001155594247 1072150385 /nfs/dbraw/zinc/15/03/85/1072150385.db2.gz NZEFTTMOENJWLT-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2c1CCCO2 ZINC001155611992 1072150396 /nfs/dbraw/zinc/15/03/96/1072150396.db2.gz UGWVKGGHUIASNF-PAURTPPISA-N -1 0 419.408 -1.632 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2c1CCCO2 ZINC001155611993 1072150331 /nfs/dbraw/zinc/15/03/31/1072150331.db2.gz UGWVKGGHUIASNF-UTGUJQJDSA-N -1 0 419.408 -1.632 20 0 HAADRM Cc1cccn2ncc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c12 ZINC001155633862 1072150414 /nfs/dbraw/zinc/15/04/14/1072150414.db2.gz ZOYNCOWVXSEXEI-WHLPLNIVSA-N -1 0 417.396 -2.000 20 0 HAADRM Cc1cccn2ncc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c12 ZINC001155633863 1072150879 /nfs/dbraw/zinc/15/08/79/1072150879.db2.gz ZOYNCOWVXSEXEI-ZUJPDMLGSA-N -1 0 417.396 -2.000 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2nccn2c1 ZINC001155922787 1072150908 /nfs/dbraw/zinc/15/09/08/1072150908.db2.gz OMXMEZOLNWDOQO-CDPPZIPSSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2nccn2c1 ZINC001155922790 1072150869 /nfs/dbraw/zinc/15/08/69/1072150869.db2.gz OMXMEZOLNWDOQO-SANCVJEGSA-N -1 0 404.357 -2.914 20 0 HAADRM Cc1ccc2nnc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)n2c1 ZINC001156042472 1072151437 /nfs/dbraw/zinc/15/14/37/1072151437.db2.gz OMFOEDOVUYXPJL-JSCYOIMZSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1ccc2nnc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)n2c1 ZINC001156042473 1072151448 /nfs/dbraw/zinc/15/14/48/1072151448.db2.gz OMFOEDOVUYXPJL-RDROLGDGSA-N -1 0 418.384 -2.605 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2nncn21 ZINC001156072288 1072151370 /nfs/dbraw/zinc/15/13/70/1072151370.db2.gz RXRQLDGCWNRPTR-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2nncn21 ZINC001156072289 1072151445 /nfs/dbraw/zinc/15/14/45/1072151445.db2.gz RXRQLDGCWNRPTR-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cn2ccnc2cn1 ZINC001156212125 1072151388 /nfs/dbraw/zinc/15/13/88/1072151388.db2.gz UEHHRFCBTBBXHK-BCPMIOLYSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cn2ccnc2cn1 ZINC001156212128 1072151819 /nfs/dbraw/zinc/15/18/19/1072151819.db2.gz UEHHRFCBTBBXHK-SDAAFIMUSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2ncsc2n1 ZINC001156303835 1071678357 /nfs/dbraw/zinc/67/83/57/1071678357.db2.gz COGZTKKCZIVKLS-ACDNLYMZSA-N -1 0 421.409 -1.952 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2ncsc2n1 ZINC001156303836 1071678346 /nfs/dbraw/zinc/67/83/46/1071678346.db2.gz COGZTKKCZIVKLS-RGXSPZPFSA-N -1 0 421.409 -1.952 20 0 HAADRM Cc1cccn2c(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nnc12 ZINC001156357151 1072151781 /nfs/dbraw/zinc/15/17/81/1072151781.db2.gz JJDOZFBPJNKBTO-BBUSGVIWSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cccn2c(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nnc12 ZINC001156357152 1072151770 /nfs/dbraw/zinc/15/17/70/1072151770.db2.gz JJDOZFBPJNKBTO-SQAZNUMISA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cc2nc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cn2cn1 ZINC001156437572 1072151731 /nfs/dbraw/zinc/15/17/31/1072151731.db2.gz LJFPZNDLVFIHOT-MNNAQAQOSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cc2nc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cn2cn1 ZINC001156437573 1072151779 /nfs/dbraw/zinc/15/17/79/1072151779.db2.gz LJFPZNDLVFIHOT-PDOXLSOOSA-N -1 0 418.384 -2.605 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccn2ccccc12 ZINC001156481406 1072151839 /nfs/dbraw/zinc/15/18/39/1072151839.db2.gz JKPXVMQBINDLLC-FTQJZPFOSA-N -1 0 402.381 -1.704 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccn2ccccc12 ZINC001156481407 1072151739 /nfs/dbraw/zinc/15/17/39/1072151739.db2.gz JKPXVMQBINDLLC-HVNMYJMUSA-N -1 0 402.381 -1.704 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2cncnc21 ZINC001156623068 1072152367 /nfs/dbraw/zinc/15/23/67/1072152367.db2.gz ZDJLVUAXBIGLDR-DECHUDPFSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2cncnc21 ZINC001156623074 1072152369 /nfs/dbraw/zinc/15/23/69/1072152369.db2.gz ZDJLVUAXBIGLDR-RFNSYMJRSA-N -1 0 415.380 -2.013 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc2cccc(F)n21 ZINC001156638463 1072152827 /nfs/dbraw/zinc/15/28/27/1072152827.db2.gz IRHNYOBRXKJATK-DJNBFIRGSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc2cccc(F)n21 ZINC001156638464 1072152693 /nfs/dbraw/zinc/15/26/93/1072152693.db2.gz IRHNYOBRXKJATK-NOIJRSPASA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc2cnsc21 ZINC001156674738 1072152820 /nfs/dbraw/zinc/15/28/20/1072152820.db2.gz RQTYVXMQNGKIKD-GIBVNIFISA-N -1 0 420.421 -1.347 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc2cnsc21 ZINC001156674739 1072152710 /nfs/dbraw/zinc/15/27/10/1072152710.db2.gz RQTYVXMQNGKIKD-GOBQNSBTSA-N -1 0 420.421 -1.347 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cn2ccnc2s1 ZINC001156817566 1072152816 /nfs/dbraw/zinc/15/28/16/1072152816.db2.gz HIGPHAJXUINXJI-DCEZOGAWSA-N -1 0 409.398 -2.247 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cn2ccnc2s1 ZINC001156817567 1072152730 /nfs/dbraw/zinc/15/27/30/1072152730.db2.gz HIGPHAJXUINXJI-NAHXDTDZSA-N -1 0 409.398 -2.247 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnn2cccc(F)c12 ZINC001156921595 1072152626 /nfs/dbraw/zinc/15/26/26/1072152626.db2.gz GLXLEQGXGFXYGU-FJBPVTJJSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnn2cccc(F)c12 ZINC001156921596 1072152799 /nfs/dbraw/zinc/15/27/99/1072152799.db2.gz GLXLEQGXGFXYGU-ORMWDYAWSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnn2cc(F)ccc12 ZINC001156940652 1072153201 /nfs/dbraw/zinc/15/32/01/1072153201.db2.gz KYLXXEWAQQMSFV-CBLPJQPBSA-N -1 0 421.359 -2.170 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnn2cc(F)ccc12 ZINC001156940653 1072153413 /nfs/dbraw/zinc/15/34/13/1072153413.db2.gz KYLXXEWAQQMSFV-SKENRDBWSA-N -1 0 421.359 -2.170 20 0 HAADRM C[C@H]1[C@H](Nc2ncccc2S(=O)(=O)N2CCOCC2)C(=O)N1S(=O)(=O)[O-] ZINC001157071138 1072153435 /nfs/dbraw/zinc/15/34/35/1072153435.db2.gz OUKIAIWDDAINNU-ONGXEEELSA-N -1 0 406.442 -1.084 20 0 HAADRM C[C@H]1[C@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157073318 1072153363 /nfs/dbraw/zinc/15/33/63/1072153363.db2.gz ZBMGQENZKRSYAX-CABZTGNLSA-N -1 0 418.453 -1.234 20 0 HAADRM C[C@H]1[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157073324 1072153185 /nfs/dbraw/zinc/15/31/85/1072153185.db2.gz ZEFNKPIAXNYKQZ-CABZTGNLSA-N -1 0 406.442 -1.084 20 0 HAADRM CN(C)S(=O)(=O)NCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001157119862 1072154047 /nfs/dbraw/zinc/15/40/47/1072154047.db2.gz FACQWMIBTOKJOS-UHFFFAOYSA-N -1 0 400.429 -1.245 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2c(c1)C(=O)OC2 ZINC001157191653 1072154099 /nfs/dbraw/zinc/15/40/99/1072154099.db2.gz HFQMTPUCOKUGEG-ACVJOUTJSA-N -1 0 419.364 -2.286 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2c(c1)C(=O)OC2 ZINC001157191663 1072154096 /nfs/dbraw/zinc/15/40/96/1072154096.db2.gz HFQMTPUCOKUGEG-LEQHPZHVSA-N -1 0 419.364 -2.286 20 0 HAADRM CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001157911312 1072158710 /nfs/dbraw/zinc/15/87/10/1072158710.db2.gz TWXJPJMAKCAMTD-UHFFFAOYSA-N -1 0 402.458 -1.247 20 0 HAADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCN2CCN(S(C)(=O)=O)CC2)nc1 ZINC001158452755 1072162918 /nfs/dbraw/zinc/16/29/18/1072162918.db2.gz GXLABUUSHRWDTD-UHFFFAOYSA-N -1 0 405.502 -1.105 20 0 HAADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158814808 1072166306 /nfs/dbraw/zinc/16/63/06/1072166306.db2.gz QJDUASYIWXCNAO-LJISPDSOSA-N -1 0 400.443 -1.356 20 0 HAADRM CC(=O)[N-]S(=O)(=O)c1ccc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc1 ZINC001159602211 1072187918 /nfs/dbraw/zinc/18/79/18/1072187918.db2.gz LZWSYDLYPHMCCZ-ZDUSSCGKSA-N -1 0 424.439 -1.447 20 0 HAADRM CC(=O)[N-]S(=O)(=O)c1ccc(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)nc1 ZINC001159943739 1072194752 /nfs/dbraw/zinc/19/47/52/1072194752.db2.gz XECSMKWFINJYFA-UHFFFAOYSA-N -1 0 424.439 -1.295 20 0 HAADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160018423 1072196249 /nfs/dbraw/zinc/19/62/49/1072196249.db2.gz OTSWCLZICBBGBO-AWEZNQCLSA-N -1 0 400.443 -1.115 20 0 HAADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001160027213 1072196184 /nfs/dbraw/zinc/19/61/84/1072196184.db2.gz QFVFHZYCQVAKQQ-ZQDZILKHSA-N -1 0 400.443 -1.242 20 0 HAADRM [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160399709 1072205689 /nfs/dbraw/zinc/20/56/89/1072205689.db2.gz UUUFJZUZBMHUHT-LBPRGKRZSA-N -1 0 401.431 -1.607 20 0 HAADRM COC(=O)c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(C)c1 ZINC001161856301 1072226425 /nfs/dbraw/zinc/22/64/25/1072226425.db2.gz ADNDVVJCYHRKFH-GIBVNIFISA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(C)c1 ZINC001161856302 1072226470 /nfs/dbraw/zinc/22/64/70/1072226470.db2.gz ADNDVVJCYHRKFH-GOBQNSBTSA-N -1 0 408.385 -1.784 20 0 HAADRM CCOC(=O)c1ccc(C)c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161856318 1072226335 /nfs/dbraw/zinc/22/63/35/1072226335.db2.gz AQZBJUAYPZYVPR-ACVJOUTJSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1ccc(C)c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161856319 1072226382 /nfs/dbraw/zinc/22/63/82/1072226382.db2.gz AQZBJUAYPZYVPR-LEQHPZHVSA-N -1 0 422.412 -1.394 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3cccnc32)[C@@H](O)[C@@H]1O ZINC001161856327 1072226416 /nfs/dbraw/zinc/22/64/16/1072226416.db2.gz AVXNVZOGHFWHGI-SWRBICTNSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3cccnc32)[C@@H](O)[C@@H]1O ZINC001161856328 1072226449 /nfs/dbraw/zinc/22/64/49/1072226449.db2.gz AVXNVZOGHFWHGI-ZYJZCQHASA-N -1 0 422.803 -1.283 20 0 HAADRM CSc1nc(Cl)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161856335 1072226497 /nfs/dbraw/zinc/22/64/97/1072226497.db2.gz BEBZFQKJPXZZTR-GKKUVZKPSA-N -1 0 417.849 -1.109 20 0 HAADRM CSc1nc(Cl)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161856336 1072226459 /nfs/dbraw/zinc/22/64/59/1072226459.db2.gz BEBZFQKJPXZZTR-JKKQVKPRSA-N -1 0 417.849 -1.109 20 0 HAADRM COc1cc(Cl)ncc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856338 1072226298 /nfs/dbraw/zinc/22/62/98/1072226298.db2.gz BHZISCDKZXVIJB-RGHQJQCBSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1cc(Cl)ncc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856339 1072226395 /nfs/dbraw/zinc/22/63/95/1072226395.db2.gz BHZISCDKZXVIJB-YNVCDSSISA-N -1 0 400.793 -1.218 20 0 HAADRM Cc1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1N1CCCC1 ZINC001161856366 1072226309 /nfs/dbraw/zinc/22/63/09/1072226309.db2.gz CDZFLVVXANADJV-CBLPJQPBSA-N -1 0 420.444 -1.576 20 0 HAADRM Cc1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1N1CCCC1 ZINC001161856367 1072226436 /nfs/dbraw/zinc/22/64/36/1072226436.db2.gz CDZFLVVXANADJV-SKENRDBWSA-N -1 0 420.444 -1.576 20 0 HAADRM Cc1cccc2c(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)ncnc12 ZINC001161856388 1072226354 /nfs/dbraw/zinc/22/63/54/1072226354.db2.gz CWGSSFHFIZYKRO-DECHUDPFSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1cccc2c(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)ncnc12 ZINC001161856389 1072226254 /nfs/dbraw/zinc/22/62/54/1072226254.db2.gz CWGSSFHFIZYKRO-RFNSYMJRSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1ccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2c1 ZINC001161856392 1072226364 /nfs/dbraw/zinc/22/63/64/1072226364.db2.gz CYEFAILFIGYGMV-FTQJZPFOSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1ccc2ncnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2c1 ZINC001161856393 1072226374 /nfs/dbraw/zinc/22/63/74/1072226374.db2.gz CYEFAILFIGYGMV-HVNMYJMUSA-N -1 0 401.397 -1.023 20 0 HAADRM CCOC(=O)Cc1cccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856396 1072226275 /nfs/dbraw/zinc/22/62/75/1072226275.db2.gz DCIFRBBWRMCMOX-DECHUDPFSA-N -1 0 422.412 -1.774 20 0 HAADRM CCOC(=O)Cc1cccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856397 1072226478 /nfs/dbraw/zinc/22/64/78/1072226478.db2.gz DCIFRBBWRMCMOX-RFNSYMJRSA-N -1 0 422.412 -1.774 20 0 HAADRM CCOC(=O)c1cc(C)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161856415 1072226813 /nfs/dbraw/zinc/22/68/13/1072226813.db2.gz DQWOSYZQGSEOTF-CJJWORHMSA-N -1 0 423.400 -1.999 20 0 HAADRM CCOC(=O)c1cc(C)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161856416 1072227033 /nfs/dbraw/zinc/22/70/33/1072227033.db2.gz DQWOSYZQGSEOTF-VDWIVTDKSA-N -1 0 423.400 -1.999 20 0 HAADRM CCOC(=O)c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncn1 ZINC001161856426 1072226893 /nfs/dbraw/zinc/22/68/93/1072226893.db2.gz DUTBSJHJFIDFBD-BCPMIOLYSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncn1 ZINC001161856427 1072226949 /nfs/dbraw/zinc/22/69/49/1072226949.db2.gz DUTBSJHJFIDFBD-SDAAFIMUSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1cnc(C)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856432 1072227017 /nfs/dbraw/zinc/22/70/17/1072227017.db2.gz FAOJXWGCPPAWDH-GIBVNIFISA-N -1 0 423.400 -1.999 20 0 HAADRM CCOC(=O)c1cnc(C)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856433 1072226970 /nfs/dbraw/zinc/22/69/70/1072226970.db2.gz FAOJXWGCPPAWDH-GOBQNSBTSA-N -1 0 423.400 -1.999 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc(Cl)n2)[C@@H](O)[C@@H]1O ZINC001161856459 1072226883 /nfs/dbraw/zinc/22/68/83/1072226883.db2.gz FTYQIOIGEWXINK-QZABAPFNSA-N -1 0 407.188 -1.783 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc(Cl)n2)[C@@H](O)[C@@H]1O ZINC001161856460 1072227024 /nfs/dbraw/zinc/22/70/24/1072227024.db2.gz FTYQIOIGEWXINK-UKFBFLRUSA-N -1 0 407.188 -1.783 20 0 HAADRM CCOc1nc(Cl)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161856471 1072226986 /nfs/dbraw/zinc/22/69/86/1072226986.db2.gz GDQQNRPJKMJUBJ-IIPUXWFRSA-N -1 0 415.808 -1.432 20 0 HAADRM CCOc1nc(Cl)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161856472 1072226821 /nfs/dbraw/zinc/22/68/21/1072226821.db2.gz GDQQNRPJKMJUBJ-WNETWIIESA-N -1 0 415.808 -1.432 20 0 HAADRM COC(=O)c1ccc(C)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856479 1072226978 /nfs/dbraw/zinc/22/69/78/1072226978.db2.gz GFUKAQHLPMKBTQ-GIBVNIFISA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1ccc(C)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856480 1072226855 /nfs/dbraw/zinc/22/68/55/1072226855.db2.gz GFUKAQHLPMKBTQ-GOBQNSBTSA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1C ZINC001161856730 1072226832 /nfs/dbraw/zinc/22/68/32/1072226832.db2.gz HLHFTBQWNDWVHT-GIBVNIFISA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1ccnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1C ZINC001161856731 1072226915 /nfs/dbraw/zinc/22/69/15/1072226915.db2.gz HLHFTBQWNDWVHT-GOBQNSBTSA-N -1 0 408.385 -1.784 20 0 HAADRM COc1nc2ccccc2nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856742 1072227309 /nfs/dbraw/zinc/22/73/09/1072227309.db2.gz HRCBQTZXUQFUFY-ACVJOUTJSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1nc2ccccc2nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856743 1072227366 /nfs/dbraw/zinc/22/73/66/1072227366.db2.gz HRCBQTZXUQFUFY-LEQHPZHVSA-N -1 0 417.396 -1.323 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3cc(F)ccc32)[C@@H](O)[C@@H]1O ZINC001161856754 1072227331 /nfs/dbraw/zinc/22/73/31/1072227331.db2.gz HYBSHVNRPDHKFF-CBLPJQPBSA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3cc(F)ccc32)[C@@H](O)[C@@H]1O ZINC001161856755 1072227277 /nfs/dbraw/zinc/22/72/77/1072227277.db2.gz HYBSHVNRPDHKFF-SKENRDBWSA-N -1 0 405.360 -1.192 20 0 HAADRM COC(=O)c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncc1F ZINC001161856756 1072227299 /nfs/dbraw/zinc/22/72/99/1072227299.db2.gz HYFDIKQDGSWDEA-BCPMIOLYSA-N -1 0 412.348 -1.954 20 0 HAADRM COC(=O)c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncc1F ZINC001161856880 1072227261 /nfs/dbraw/zinc/22/72/61/1072227261.db2.gz HYFDIKQDGSWDEA-SDAAFIMUSA-N -1 0 412.348 -1.954 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@H](F)Oc2cccc(Cl)n2)[C@@H](O)[C@@H]1O ZINC001161856911 1072227353 /nfs/dbraw/zinc/22/73/53/1072227353.db2.gz AJTNZDFIONKYDA-BVIVGSQOSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@@H](F)Oc2cccc(Cl)n2)[C@@H](O)[C@@H]1O ZINC001161856913 1072227283 /nfs/dbraw/zinc/22/72/83/1072227283.db2.gz AJTNZDFIONKYDA-CVTRQWCNSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@H](F)Oc2cccc(Cl)n2)[C@@H](O)[C@@H]1O ZINC001161856916 1072227383 /nfs/dbraw/zinc/22/73/83/1072227383.db2.gz AJTNZDFIONKYDA-IOKGUJKQSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@@H](F)Oc2cccc(Cl)n2)[C@@H](O)[C@@H]1O ZINC001161856918 1072227320 /nfs/dbraw/zinc/22/73/20/1072227320.db2.gz AJTNZDFIONKYDA-PFJSOSMXSA-N -1 0 418.783 -1.417 20 0 HAADRM CCOC(=O)c1cccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856948 1072227247 /nfs/dbraw/zinc/22/72/47/1072227247.db2.gz IPFVKCSQFZUQST-GIBVNIFISA-N -1 0 408.385 -1.703 20 0 HAADRM CCOC(=O)c1cccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856950 1072227270 /nfs/dbraw/zinc/22/72/70/1072227270.db2.gz IPFVKCSQFZUQST-GOBQNSBTSA-N -1 0 408.385 -1.703 20 0 HAADRM CN(C)c1nc(Cl)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161856963 1072227360 /nfs/dbraw/zinc/22/73/60/1072227360.db2.gz IUCNIZUSVAENFE-IIPUXWFRSA-N -1 0 414.824 -1.765 20 0 HAADRM CN(C)c1nc(Cl)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161856967 1072227289 /nfs/dbraw/zinc/22/72/89/1072227289.db2.gz IUCNIZUSVAENFE-WNETWIIESA-N -1 0 414.824 -1.765 20 0 HAADRM COc1c(Cl)nc(C)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161856971 1072227241 /nfs/dbraw/zinc/22/72/41/1072227241.db2.gz AWICXYYFKXIVMB-NXHMJRQSSA-N -1 0 415.808 -1.514 20 0 HAADRM COc1c(Cl)nc(C)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161856976 1072227294 /nfs/dbraw/zinc/22/72/94/1072227294.db2.gz AWICXYYFKXIVMB-VZFBLLBOSA-N -1 0 415.808 -1.514 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc3ncccc3nc2Cl)[C@@H](O)[C@@H]1O ZINC001161857043 1072227880 /nfs/dbraw/zinc/22/78/80/1072227880.db2.gz BPEQLPHJWPCZLP-OJMIUMIFSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc3ncccc3nc2Cl)[C@@H](O)[C@@H]1O ZINC001161857044 1072227795 /nfs/dbraw/zinc/22/77/95/1072227795.db2.gz BPEQLPHJWPCZLP-PCQLPTCXSA-N -1 0 422.803 -1.283 20 0 HAADRM CCOC(=O)c1cncc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857063 1072227747 /nfs/dbraw/zinc/22/77/47/1072227747.db2.gz BXQOEDCSZGKMAP-BCPMIOLYSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1cncc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857064 1072227897 /nfs/dbraw/zinc/22/78/97/1072227897.db2.gz BXQOEDCSZGKMAP-SDAAFIMUSA-N -1 0 409.373 -2.308 20 0 HAADRM CN(C)C(=O)c1cncc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857069 1072227889 /nfs/dbraw/zinc/22/78/89/1072227889.db2.gz CCCFIBQALXFXOK-BCPMIOLYSA-N -1 0 408.389 -2.783 20 0 HAADRM CN(C)C(=O)c1cncc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857070 1072227758 /nfs/dbraw/zinc/22/77/58/1072227758.db2.gz CCCFIBQALXFXOK-SDAAFIMUSA-N -1 0 408.389 -2.783 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3c(F)cccc23)[C@@H](O)[C@@H]1O ZINC001161857071 1072227822 /nfs/dbraw/zinc/22/78/22/1072227822.db2.gz CDACKYZWUYICGJ-MNNAQAQOSA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3c(F)cccc23)[C@@H](O)[C@@H]1O ZINC001161857072 1072227815 /nfs/dbraw/zinc/22/78/15/1072227815.db2.gz CDACKYZWUYICGJ-PDOXLSOOSA-N -1 0 405.360 -1.192 20 0 HAADRM CSc1nc(Cl)ncc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161857077 1072227804 /nfs/dbraw/zinc/22/78/04/1072227804.db2.gz CHVRXESRPUKXPQ-PZACJGDYSA-N -1 0 417.849 -1.109 20 0 HAADRM CSc1nc(Cl)ncc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161857078 1072227838 /nfs/dbraw/zinc/22/78/38/1072227838.db2.gz CHVRXESRPUKXPQ-VRRGKTLJSA-N -1 0 417.849 -1.109 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cnc(-c3ccco3)cn2)[C@@H](O)[C@@H]1O ZINC001161857087 1072227825 /nfs/dbraw/zinc/22/78/25/1072227825.db2.gz CNNPSEFFIQIYDK-DKTYCGPESA-N -1 0 403.369 -1.225 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cnc(-c3ccco3)cn2)[C@@H](O)[C@@H]1O ZINC001161857088 1072227865 /nfs/dbraw/zinc/22/78/65/1072227865.db2.gz CNNPSEFFIQIYDK-FZGMBXNASA-N -1 0 403.369 -1.225 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@@H](F)Oc2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857107 1072227316 /nfs/dbraw/zinc/22/73/16/1072227316.db2.gz JNULRPOGLDHOKV-OHFJOBOTSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@H](F)Oc2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857110 1072227252 /nfs/dbraw/zinc/22/72/52/1072227252.db2.gz JNULRPOGLDHOKV-QGVQPDCJSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@H](F)Oc2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857113 1072227770 /nfs/dbraw/zinc/22/77/70/1072227770.db2.gz JNULRPOGLDHOKV-SYIBODKJSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@@H](F)Oc2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857116 1072227859 /nfs/dbraw/zinc/22/78/59/1072227859.db2.gz JNULRPOGLDHOKV-YVVIHVBMSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3ccc(F)cc32)[C@@H](O)[C@@H]1O ZINC001161857194 1072227870 /nfs/dbraw/zinc/22/78/70/1072227870.db2.gz JZYIWRQNAAXFFG-CBLPJQPBSA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3ccc(F)cc32)[C@@H](O)[C@@H]1O ZINC001161857198 1072227843 /nfs/dbraw/zinc/22/78/43/1072227843.db2.gz JZYIWRQNAAXFFG-SKENRDBWSA-N -1 0 405.360 -1.192 20 0 HAADRM COc1cnc(SC)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161857224 1072227777 /nfs/dbraw/zinc/22/77/77/1072227777.db2.gz KBQJTEHWZVJBBN-UEWQFTGXSA-N -1 0 413.430 -1.754 20 0 HAADRM COc1cnc(SC)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161857227 1072227848 /nfs/dbraw/zinc/22/78/48/1072227848.db2.gz KBQJTEHWZVJBBN-VCMDJLOCSA-N -1 0 413.430 -1.754 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3ncccc32)[C@@H](O)[C@@H]1O ZINC001161857237 1072228239 /nfs/dbraw/zinc/22/82/39/1072228239.db2.gz KEOWYOHWDDBJFJ-QFQOQTIOSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3ncccc32)[C@@H](O)[C@@H]1O ZINC001161857240 1072228287 /nfs/dbraw/zinc/22/82/87/1072228287.db2.gz KEOWYOHWDDBJFJ-ZTVJRRTOSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3ccoc32)[C@@H](O)[C@@H]1O ZINC001161857248 1072228263 /nfs/dbraw/zinc/22/82/63/1072228263.db2.gz KGFFCXLCMAIZQW-HUOUWLIASA-N -1 0 411.776 -1.085 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3ccoc32)[C@@H](O)[C@@H]1O ZINC001161857253 1072228236 /nfs/dbraw/zinc/22/82/36/1072228236.db2.gz KGFFCXLCMAIZQW-UYEZSENVSA-N -1 0 411.776 -1.085 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nccc(N3CCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161857272 1072228269 /nfs/dbraw/zinc/22/82/69/1072228269.db2.gz KLHBROZIKLIHQP-JOLIMNQDSA-N -1 0 406.417 -1.884 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nccc(N3CCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161857275 1072228258 /nfs/dbraw/zinc/22/82/58/1072228258.db2.gz KLHBROZIKLIHQP-WECGXBHGSA-N -1 0 406.417 -1.884 20 0 HAADRM COC(=O)c1cc(OC)cnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161857311 1072228233 /nfs/dbraw/zinc/22/82/33/1072228233.db2.gz LFNCFPVPOPOMFP-GIBVNIFISA-N -1 0 424.384 -2.084 20 0 HAADRM COC(=O)c1cc(OC)cnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161857323 1072228283 /nfs/dbraw/zinc/22/82/83/1072228283.db2.gz LFNCFPVPOPOMFP-GOBQNSBTSA-N -1 0 424.384 -2.084 20 0 HAADRM CC(C)COc1cncc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857366 1072228210 /nfs/dbraw/zinc/22/82/10/1072228210.db2.gz DCRPEUHQXNBJSS-LXOGICJWSA-N -1 0 409.417 -1.450 20 0 HAADRM CC(C)COc1cncc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857392 1072228249 /nfs/dbraw/zinc/22/82/49/1072228249.db2.gz DCRPEUHQXNBJSS-OJGWYHNPSA-N -1 0 409.417 -1.450 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@H](F)c2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857400 1072228265 /nfs/dbraw/zinc/22/82/65/1072228265.db2.gz DEQVQTKNTAOQAI-OHFJOBOTSA-N -1 0 402.784 -1.080 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@H](F)c2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857401 1072228252 /nfs/dbraw/zinc/22/82/52/1072228252.db2.gz DEQVQTKNTAOQAI-QGVQPDCJSA-N -1 0 402.784 -1.080 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@@H](F)c2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857403 1072228281 /nfs/dbraw/zinc/22/82/81/1072228281.db2.gz DEQVQTKNTAOQAI-SYIBODKJSA-N -1 0 402.784 -1.080 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@@H](F)c2ccnc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001161857405 1072228275 /nfs/dbraw/zinc/22/82/75/1072228275.db2.gz DEQVQTKNTAOQAI-YVVIHVBMSA-N -1 0 402.784 -1.080 20 0 HAADRM CCOC(=O)c1nccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857406 1072228780 /nfs/dbraw/zinc/22/87/80/1072228780.db2.gz DEUJKEFXGOXMGM-SWRBICTNSA-N -1 0 409.373 -2.886 20 0 HAADRM CCOC(=O)c1nccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857407 1072228678 /nfs/dbraw/zinc/22/86/78/1072228678.db2.gz DEUJKEFXGOXMGM-ZYJZCQHASA-N -1 0 409.373 -2.886 20 0 HAADRM COc1ccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2c1 ZINC001161857411 1072228219 /nfs/dbraw/zinc/22/82/19/1072228219.db2.gz MAPFVKVGZWRIKD-FTQJZPFOSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1ccc2ncnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2c1 ZINC001161857413 1072228240 /nfs/dbraw/zinc/22/82/40/1072228240.db2.gz MAPFVKVGZWRIKD-HVNMYJMUSA-N -1 0 417.396 -1.323 20 0 HAADRM CSc1ncc(Cl)c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857420 1072228247 /nfs/dbraw/zinc/22/82/47/1072228247.db2.gz MDARCNPVBIFJIM-PZACJGDYSA-N -1 0 417.849 -1.109 20 0 HAADRM CSc1ncc(Cl)c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857422 1072228227 /nfs/dbraw/zinc/22/82/27/1072228227.db2.gz MDARCNPVBIFJIM-VRRGKTLJSA-N -1 0 417.849 -1.109 20 0 HAADRM CSc1ncc(Cl)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161857427 1072228672 /nfs/dbraw/zinc/22/86/72/1072228672.db2.gz DKPHEYCCCAJHDX-IQUTXCMISA-N -1 0 417.849 -1.109 20 0 HAADRM CSc1ncc(Cl)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161857428 1072228804 /nfs/dbraw/zinc/22/88/04/1072228804.db2.gz DKPHEYCCCAJHDX-PTFLPILLSA-N -1 0 417.849 -1.109 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ccnc(N3CCCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161857439 1072228701 /nfs/dbraw/zinc/22/87/01/1072228701.db2.gz DMXMFHRZZYUTGH-DKTYCGPESA-N -1 0 420.444 -1.494 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ccnc(N3CCCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161857441 1072228754 /nfs/dbraw/zinc/22/87/54/1072228754.db2.gz DMXMFHRZZYUTGH-FZGMBXNASA-N -1 0 420.444 -1.494 20 0 HAADRM CCOC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001161857453 1072228717 /nfs/dbraw/zinc/22/87/17/1072228717.db2.gz MQZYCWCKKRVWMY-MNNAQAQOSA-N -1 0 408.385 -1.703 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@@H](F)Oc2ccc(Cl)nc2)[C@@H](O)[C@@H]1O ZINC001161857465 1072228771 /nfs/dbraw/zinc/22/87/71/1072228771.db2.gz DVPIUYGUGUCUPV-OHFJOBOTSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@H](F)Oc2ccc(Cl)nc2)[C@@H](O)[C@@H]1O ZINC001161857466 1072228784 /nfs/dbraw/zinc/22/87/84/1072228784.db2.gz DVPIUYGUGUCUPV-QGVQPDCJSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@H](F)Oc2ccc(Cl)nc2)[C@@H](O)[C@@H]1O ZINC001161857467 1072228691 /nfs/dbraw/zinc/22/86/91/1072228691.db2.gz DVPIUYGUGUCUPV-SYIBODKJSA-N -1 0 418.783 -1.417 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@@H](F)Oc2ccc(Cl)nc2)[C@@H](O)[C@@H]1O ZINC001161857468 1072228652 /nfs/dbraw/zinc/22/86/52/1072228652.db2.gz DVPIUYGUGUCUPV-YVVIHVBMSA-N -1 0 418.783 -1.417 20 0 HAADRM CCOC(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001161857537 1072228685 /nfs/dbraw/zinc/22/86/85/1072228685.db2.gz MQZYCWCKKRVWMY-PDOXLSOOSA-N -1 0 408.385 -1.703 20 0 HAADRM CSc1nc(Cl)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857570 1072229293 /nfs/dbraw/zinc/22/92/93/1072229293.db2.gz MVRJYNYMCHGBDB-GKHCUFPYSA-N -1 0 418.837 -1.714 20 0 HAADRM CSc1nc(Cl)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857582 1072229332 /nfs/dbraw/zinc/22/93/32/1072229332.db2.gz MVRJYNYMCHGBDB-NYMZXIIRSA-N -1 0 418.837 -1.714 20 0 HAADRM COc1cccc2c(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)ncnc12 ZINC001161857716 1072229308 /nfs/dbraw/zinc/22/93/08/1072229308.db2.gz NPXJZDSHYINSPO-DECHUDPFSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1cccc2c(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)ncnc12 ZINC001161857720 1072229180 /nfs/dbraw/zinc/22/91/80/1072229180.db2.gz NPXJZDSHYINSPO-RFNSYMJRSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1nc(Cl)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857755 1072229300 /nfs/dbraw/zinc/22/93/00/1072229300.db2.gz OGGFXXXCASIQFR-GKKUVZKPSA-N -1 0 401.781 -1.823 20 0 HAADRM COc1nc(Cl)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857756 1072229235 /nfs/dbraw/zinc/22/92/35/1072229235.db2.gz OGGFXXXCASIQFR-JKKQVKPRSA-N -1 0 401.781 -1.823 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3nc(Cl)ccc32)[C@@H](O)[C@@H]1O ZINC001161857762 1072229223 /nfs/dbraw/zinc/22/92/23/1072229223.db2.gz OIGQTIWJZPXGPF-ABDJVACUSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3nc(Cl)ccc32)[C@@H](O)[C@@H]1O ZINC001161857763 1072229276 /nfs/dbraw/zinc/22/92/76/1072229276.db2.gz OIGQTIWJZPXGPF-RRDYINPDSA-N -1 0 422.803 -1.283 20 0 HAADRM Cc1nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc2ccccc12 ZINC001161857769 1072228763 /nfs/dbraw/zinc/22/87/63/1072228763.db2.gz FLXXEIARARMLCW-DHGKCCLASA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc2ccccc12 ZINC001161857770 1072228790 /nfs/dbraw/zinc/22/87/90/1072228790.db2.gz FLXXEIARARMLCW-KSTCHIGDSA-N -1 0 401.397 -1.023 20 0 HAADRM CCOC(=O)Cc1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001161857779 1072228796 /nfs/dbraw/zinc/22/87/96/1072228796.db2.gz FNBUQKUVTKVBAA-WMESBKTJSA-N -1 0 422.412 -1.774 20 0 HAADRM CCOC(=O)Cc1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001161857781 1072228742 /nfs/dbraw/zinc/22/87/42/1072228742.db2.gz FNBUQKUVTKVBAA-YGARTUKASA-N -1 0 422.412 -1.774 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cc(OCC3CC3)ncn2)[C@@H](O)[C@@H]1O ZINC001161857785 1072229264 /nfs/dbraw/zinc/22/92/64/1072229264.db2.gz FODMWUVVQWHNQK-LXOGICJWSA-N -1 0 407.401 -1.696 20 0 HAADRM Cc1nc2ccccc2c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857795 1072229200 /nfs/dbraw/zinc/22/92/00/1072229200.db2.gz OSGDWLQXYNXBOQ-FTQJZPFOSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1nc2ccccc2c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857796 1072229315 /nfs/dbraw/zinc/22/93/15/1072229315.db2.gz OSGDWLQXYNXBOQ-HVNMYJMUSA-N -1 0 401.397 -1.023 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cc(OCC3CC3)ncn2)[C@@H](O)[C@@H]1O ZINC001161857798 1072229322 /nfs/dbraw/zinc/22/93/22/1072229322.db2.gz FODMWUVVQWHNQK-OJGWYHNPSA-N -1 0 407.401 -1.696 20 0 HAADRM COc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc(SC)n1 ZINC001161857799 1072229165 /nfs/dbraw/zinc/22/91/65/1072229165.db2.gz FPHUKRKRFYNVGT-IIPUXWFRSA-N -1 0 413.430 -1.754 20 0 HAADRM COc1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc(SC)n1 ZINC001161857800 1072229285 /nfs/dbraw/zinc/22/92/85/1072229285.db2.gz FPHUKRKRFYNVGT-WNETWIIESA-N -1 0 413.430 -1.754 20 0 HAADRM CCOC(=O)Cc1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001161857819 1072229329 /nfs/dbraw/zinc/22/93/29/1072229329.db2.gz FUWAAPWWRDPNHN-JOLIMNQDSA-N -1 0 423.400 -2.379 20 0 HAADRM CCOC(=O)Cc1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001161857822 1072229190 /nfs/dbraw/zinc/22/91/90/1072229190.db2.gz FUWAAPWWRDPNHN-WECGXBHGSA-N -1 0 423.400 -2.379 20 0 HAADRM COC(=O)c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncc1C ZINC001161857829 1072229671 /nfs/dbraw/zinc/22/96/71/1072229671.db2.gz FXJXCMRNOFNDCO-MNNAQAQOSA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncc1C ZINC001161857830 1072229780 /nfs/dbraw/zinc/22/97/80/1072229780.db2.gz FXJXCMRNOFNDCO-PDOXLSOOSA-N -1 0 408.385 -1.784 20 0 HAADRM CN(C)c1cc(Cl)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161857831 1072229682 /nfs/dbraw/zinc/22/96/82/1072229682.db2.gz GAWNWEIRBKUZBZ-IIPUXWFRSA-N -1 0 414.824 -1.765 20 0 HAADRM CN(C)c1cc(Cl)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161857832 1072229692 /nfs/dbraw/zinc/22/96/92/1072229692.db2.gz GAWNWEIRBKUZBZ-WNETWIIESA-N -1 0 414.824 -1.765 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ccc(-c3ccco3)nn2)[C@@H](O)[C@@H]1O ZINC001161857837 1072229804 /nfs/dbraw/zinc/22/98/04/1072229804.db2.gz GGICVVPOPMLZCG-DKTYCGPESA-N -1 0 403.369 -1.225 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ccc(-c3ccco3)nn2)[C@@H](O)[C@@H]1O ZINC001161857838 1072229635 /nfs/dbraw/zinc/22/96/35/1072229635.db2.gz GGICVVPOPMLZCG-FZGMBXNASA-N -1 0 403.369 -1.225 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nnc(Cl)c3ccoc32)[C@@H](O)[C@@H]1O ZINC001161857845 1072229718 /nfs/dbraw/zinc/22/97/18/1072229718.db2.gz GKEWNDUYAOOIRH-NXHMJRQSSA-N -1 0 411.776 -1.085 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nnc(Cl)c3ccoc32)[C@@H](O)[C@@H]1O ZINC001161857846 1072229797 /nfs/dbraw/zinc/22/97/97/1072229797.db2.gz GKEWNDUYAOOIRH-VZFBLLBOSA-N -1 0 411.776 -1.085 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ccc3ncc(F)cc3n2)[C@@H](O)[C@@H]1O ZINC001161857881 1072229824 /nfs/dbraw/zinc/22/98/24/1072229824.db2.gz HHHASSJGMVIQTD-DKTYCGPESA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ccc3ncc(F)cc3n2)[C@@H](O)[C@@H]1O ZINC001161857882 1072229703 /nfs/dbraw/zinc/22/97/03/1072229703.db2.gz HHHASSJGMVIQTD-FZGMBXNASA-N -1 0 405.360 -1.192 20 0 HAADRM Cc1ccc2nc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)ncc2c1 ZINC001161857883 1072229714 /nfs/dbraw/zinc/22/97/14/1072229714.db2.gz HHRZSQVXHYAKKI-DHGKCCLASA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1ccc2nc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)ncc2c1 ZINC001161857884 1072229830 /nfs/dbraw/zinc/22/98/30/1072229830.db2.gz HHRZSQVXHYAKKI-KSTCHIGDSA-N -1 0 401.397 -1.023 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cc(N3CCCCC3)ncn2)[C@@H](O)[C@@H]1O ZINC001161857887 1072229761 /nfs/dbraw/zinc/22/97/61/1072229761.db2.gz HNATWROPTXNAQN-WMESBKTJSA-N -1 0 420.444 -1.494 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cc(N3CCCCC3)ncn2)[C@@H](O)[C@@H]1O ZINC001161857888 1072229647 /nfs/dbraw/zinc/22/96/47/1072229647.db2.gz HNATWROPTXNAQN-YGARTUKASA-N -1 0 420.444 -1.494 20 0 HAADRM COc1ccc2cnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc2c1 ZINC001161858076 1072229743 /nfs/dbraw/zinc/22/97/43/1072229743.db2.gz PKOOTFDIANGACF-DHGKCCLASA-N -1 0 417.396 -1.323 20 0 HAADRM COc1ccc2cnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc2c1 ZINC001161858079 1072229789 /nfs/dbraw/zinc/22/97/89/1072229789.db2.gz PKOOTFDIANGACF-KSTCHIGDSA-N -1 0 417.396 -1.323 20 0 HAADRM CCOC(=O)c1cccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161858081 1072229727 /nfs/dbraw/zinc/22/97/27/1072229727.db2.gz PKQMGLXMUDGWKZ-MNNAQAQOSA-N -1 0 408.385 -1.703 20 0 HAADRM CCOC(=O)c1cccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161858082 1072229818 /nfs/dbraw/zinc/22/98/18/1072229818.db2.gz PKQMGLXMUDGWKZ-PDOXLSOOSA-N -1 0 408.385 -1.703 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3c2CCC3)[C@@H](O)[C@@H]1O ZINC001161858096 1072230301 /nfs/dbraw/zinc/23/03/01/1072230301.db2.gz PRBACAWJVUQFGG-CDPPZIPSSA-N -1 0 411.820 -1.342 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3c2CCC3)[C@@H](O)[C@@H]1O ZINC001161858097 1072230136 /nfs/dbraw/zinc/23/01/36/1072230136.db2.gz PRBACAWJVUQFGG-SANCVJEGSA-N -1 0 411.820 -1.342 20 0 HAADRM COC(=O)c1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1OC ZINC001161858135 1072230250 /nfs/dbraw/zinc/23/02/50/1072230250.db2.gz QEUXANKEEURLBV-MNNAQAQOSA-N -1 0 424.384 -2.084 20 0 HAADRM COC(=O)c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1OC ZINC001161858137 1072230270 /nfs/dbraw/zinc/23/02/70/1072230270.db2.gz QEUXANKEEURLBV-PDOXLSOOSA-N -1 0 424.384 -2.084 20 0 HAADRM COC(=O)c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(F)c1 ZINC001161858156 1072230187 /nfs/dbraw/zinc/23/01/87/1072230187.db2.gz IEJIMXNGKHNAOY-ACDNLYMZSA-N -1 0 412.348 -1.954 20 0 HAADRM COC(=O)c1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(F)c1 ZINC001161858157 1072230311 /nfs/dbraw/zinc/23/03/11/1072230311.db2.gz IEJIMXNGKHNAOY-RGXSPZPFSA-N -1 0 412.348 -1.954 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)ncc2Cl)[C@@H](O)[C@@H]1O ZINC001161858171 1072230125 /nfs/dbraw/zinc/23/01/25/1072230125.db2.gz QPECYKLWOGOSQP-BTPGUECKSA-N -1 0 406.200 -1.178 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)ncc2Cl)[C@@H](O)[C@@H]1O ZINC001161858172 1072230226 /nfs/dbraw/zinc/23/02/26/1072230226.db2.gz QPECYKLWOGOSQP-DMKSXPFUSA-N -1 0 406.200 -1.178 20 0 HAADRM CCOC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nn1 ZINC001161858173 1072230164 /nfs/dbraw/zinc/23/01/64/1072230164.db2.gz QPSZWPISFQZKBZ-BCPMIOLYSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nn1 ZINC001161858175 1072230240 /nfs/dbraw/zinc/23/02/40/1072230240.db2.gz QPSZWPISFQZKBZ-SDAAFIMUSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1c(C)ccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858188 1072230201 /nfs/dbraw/zinc/23/02/01/1072230201.db2.gz IQCGTYWKNXLROL-NZIXVDBUSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1c(C)ccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858189 1072230280 /nfs/dbraw/zinc/23/02/80/1072230280.db2.gz IQCGTYWKNXLROL-WSWLIKMPSA-N -1 0 422.412 -1.394 20 0 HAADRM COC(=O)c1cc(C)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161858192 1072230290 /nfs/dbraw/zinc/23/02/90/1072230290.db2.gz IQTQACCJWUEBHH-MNNAQAQOSA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1cc(C)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161858193 1072230154 /nfs/dbraw/zinc/23/01/54/1072230154.db2.gz IQTQACCJWUEBHH-PDOXLSOOSA-N -1 0 408.385 -1.784 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3cccc(F)c32)[C@@H](O)[C@@H]1O ZINC001161858245 1072230195 /nfs/dbraw/zinc/23/01/95/1072230195.db2.gz IXSMWXYXCNARMM-MNNAQAQOSA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3cccc(F)c32)[C@@H](O)[C@@H]1O ZINC001161858248 1072230143 /nfs/dbraw/zinc/23/01/43/1072230143.db2.gz IXSMWXYXCNARMM-PDOXLSOOSA-N -1 0 405.360 -1.192 20 0 HAADRM COc1cccc2ncnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c21 ZINC001161858273 1072230651 /nfs/dbraw/zinc/23/06/51/1072230651.db2.gz JIXPCBOLTZVATA-DECHUDPFSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1cccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c21 ZINC001161858274 1072230683 /nfs/dbraw/zinc/23/06/83/1072230683.db2.gz JIXPCBOLTZVATA-RFNSYMJRSA-N -1 0 417.396 -1.323 20 0 HAADRM CCOC(=O)c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncc1C ZINC001161858287 1072230638 /nfs/dbraw/zinc/23/06/38/1072230638.db2.gz JQTCNYIGFMFAPF-DECHUDPFSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncc1C ZINC001161858288 1072230641 /nfs/dbraw/zinc/23/06/41/1072230641.db2.gz JQTCNYIGFMFAPF-RFNSYMJRSA-N -1 0 422.412 -1.394 20 0 HAADRM Cc1nc2ccc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc2n1C ZINC001161858297 1072230640 /nfs/dbraw/zinc/23/06/40/1072230640.db2.gz JXCHMMAFVLNJIO-MNNAQAQOSA-N -1 0 404.401 -1.684 20 0 HAADRM Cc1nc2ccc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc2n1C ZINC001161858298 1072230689 /nfs/dbraw/zinc/23/06/89/1072230689.db2.gz JXCHMMAFVLNJIO-PDOXLSOOSA-N -1 0 404.401 -1.684 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nnc(Cl)cc2Cl)[C@@H](O)[C@@H]1O ZINC001161858336 1072230692 /nfs/dbraw/zinc/23/06/92/1072230692.db2.gz SCKWGWHPKBKZFL-KMHNAULVSA-N -1 0 406.200 -1.178 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nnc(Cl)cc2Cl)[C@@H](O)[C@@H]1O ZINC001161858337 1072230647 /nfs/dbraw/zinc/23/06/47/1072230647.db2.gz SCKWGWHPKBKZFL-VHZGFARSSA-N -1 0 406.200 -1.178 20 0 HAADRM CN(C)C(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001161858363 1072230700 /nfs/dbraw/zinc/23/07/00/1072230700.db2.gz SXKFCNHVOQEEME-MNNAQAQOSA-N -1 0 407.401 -2.178 20 0 HAADRM CN(C)C(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001161858364 1072230671 /nfs/dbraw/zinc/23/06/71/1072230671.db2.gz SXKFCNHVOQEEME-PDOXLSOOSA-N -1 0 407.401 -2.178 20 0 HAADRM CCOC(=O)c1cc(C)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161858380 1072230687 /nfs/dbraw/zinc/23/06/87/1072230687.db2.gz UFDVKNCAMDYPJB-DECHUDPFSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1cc(C)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161858381 1072230677 /nfs/dbraw/zinc/23/06/77/1072230677.db2.gz UFDVKNCAMDYPJB-RFNSYMJRSA-N -1 0 422.412 -1.394 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3c2COC3)[C@@H](O)[C@@H]1O ZINC001161858395 1072230657 /nfs/dbraw/zinc/23/06/57/1072230657.db2.gz USAFLEUPZXHYGP-UEWQFTGXSA-N -1 0 413.792 -1.801 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3c2COC3)[C@@H](O)[C@@H]1O ZINC001161858396 1072230674 /nfs/dbraw/zinc/23/06/74/1072230674.db2.gz USAFLEUPZXHYGP-VCMDJLOCSA-N -1 0 413.792 -1.801 20 0 HAADRM COC(=O)c1cc(C)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001161858399 1072231288 /nfs/dbraw/zinc/23/12/88/1072231288.db2.gz UWWWAUCEJYIKAC-MNNAQAQOSA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1cc(C)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001161858400 1072231205 /nfs/dbraw/zinc/23/12/05/1072231205.db2.gz UWWWAUCEJYIKAC-PDOXLSOOSA-N -1 0 408.385 -1.784 20 0 HAADRM COc1cnc(Cl)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858404 1072231125 /nfs/dbraw/zinc/23/11/25/1072231125.db2.gz VFVKWYXVLFXSTO-PZACJGDYSA-N -1 0 401.781 -1.823 20 0 HAADRM COC(=O)Cc1cccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161858429 1072231242 /nfs/dbraw/zinc/23/12/42/1072231242.db2.gz LCVCKBIJRKEPLP-LXOGICJWSA-N -1 0 408.385 -2.164 20 0 HAADRM COC(=O)Cc1cccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161858430 1072231263 /nfs/dbraw/zinc/23/12/63/1072231263.db2.gz LCVCKBIJRKEPLP-OJGWYHNPSA-N -1 0 408.385 -2.164 20 0 HAADRM CCOC(=O)c1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001161858439 1072231277 /nfs/dbraw/zinc/23/12/77/1072231277.db2.gz LGNGSDPFLVZUSZ-BCPMIOLYSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001161858440 1072231119 /nfs/dbraw/zinc/23/11/19/1072231119.db2.gz LGNGSDPFLVZUSZ-SDAAFIMUSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)Cc1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nn1 ZINC001161858459 1072231174 /nfs/dbraw/zinc/23/11/74/1072231174.db2.gz LSRUEEIOJSFEEF-LXOGICJWSA-N -1 0 423.400 -2.379 20 0 HAADRM CCOC(=O)Cc1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nn1 ZINC001161858460 1072231217 /nfs/dbraw/zinc/23/12/17/1072231217.db2.gz LSRUEEIOJSFEEF-OJGWYHNPSA-N -1 0 423.400 -2.379 20 0 HAADRM Cc1nnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c2ccccc12 ZINC001161858461 1072231153 /nfs/dbraw/zinc/23/11/53/1072231153.db2.gz LTVZSXVAGJXVCN-FTQJZPFOSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1nnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c2ccccc12 ZINC001161858462 1072231182 /nfs/dbraw/zinc/23/11/82/1072231182.db2.gz LTVZSXVAGJXVCN-HVNMYJMUSA-N -1 0 401.397 -1.023 20 0 HAADRM COc1nc(Cl)nc(C)c1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858463 1072231193 /nfs/dbraw/zinc/23/11/93/1072231193.db2.gz LVSZMFCHUTWWNI-DCEZOGAWSA-N -1 0 415.808 -1.514 20 0 HAADRM COc1nc(Cl)nc(C)c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858464 1072231302 /nfs/dbraw/zinc/23/13/02/1072231302.db2.gz LVSZMFCHUTWWNI-NAHXDTDZSA-N -1 0 415.808 -1.514 20 0 HAADRM CC(C)(C)Oc1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161858479 1072231314 /nfs/dbraw/zinc/23/13/14/1072231314.db2.gz MFTWBAIXWXPRQC-RGHQJQCBSA-N -1 0 409.417 -1.307 20 0 HAADRM CC(C)(C)Oc1ccnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161858480 1072231147 /nfs/dbraw/zinc/23/11/47/1072231147.db2.gz MFTWBAIXWXPRQC-YNVCDSSISA-N -1 0 409.417 -1.307 20 0 HAADRM COc1cnnc(Cl)c1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858485 1072231743 /nfs/dbraw/zinc/23/17/43/1072231743.db2.gz MJDVTGBARRFADB-DCEZOGAWSA-N -1 0 401.781 -1.823 20 0 HAADRM COc1cnnc(Cl)c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858486 1072231752 /nfs/dbraw/zinc/23/17/52/1072231752.db2.gz MJDVTGBARRFADB-NAHXDTDZSA-N -1 0 401.781 -1.823 20 0 HAADRM COc1nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc2ccccc21 ZINC001161858491 1072231724 /nfs/dbraw/zinc/23/17/24/1072231724.db2.gz MSNSEDHJDLWEFZ-CBLPJQPBSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc2ccccc21 ZINC001161858492 1072231698 /nfs/dbraw/zinc/23/16/98/1072231698.db2.gz MSNSEDHJDLWEFZ-SKENRDBWSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1cnc(Cl)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858505 1072231143 /nfs/dbraw/zinc/23/11/43/1072231143.db2.gz VFVKWYXVLFXSTO-VRRGKTLJSA-N -1 0 401.781 -1.823 20 0 HAADRM COC(=O)c1cc(F)cnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858510 1072231777 /nfs/dbraw/zinc/23/17/77/1072231777.db2.gz VKMZRXMEXCNBSK-ACDNLYMZSA-N -1 0 412.348 -1.954 20 0 HAADRM COC(=O)c1cc(F)cnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858511 1072231766 /nfs/dbraw/zinc/23/17/66/1072231766.db2.gz VKMZRXMEXCNBSK-RGXSPZPFSA-N -1 0 412.348 -1.954 20 0 HAADRM COc1cc(Cl)cnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858579 1072231748 /nfs/dbraw/zinc/23/17/48/1072231748.db2.gz WLGOPTULSWSJSO-CDPPZIPSSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1cc(Cl)cnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858580 1072231703 /nfs/dbraw/zinc/23/17/03/1072231703.db2.gz WLGOPTULSWSJSO-SANCVJEGSA-N -1 0 400.793 -1.218 20 0 HAADRM Cn1c(=O)ccc2ccc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc21 ZINC001161858591 1072231763 /nfs/dbraw/zinc/23/17/63/1072231763.db2.gz NNVNRPYWPKJEHE-OGQWOQGMSA-N -1 0 417.396 -2.028 20 0 HAADRM Cn1c(=O)ccc2ccc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc21 ZINC001161858592 1072231772 /nfs/dbraw/zinc/23/17/72/1072231772.db2.gz NNVNRPYWPKJEHE-ZSTIDAEKSA-N -1 0 417.396 -2.028 20 0 HAADRM COC(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1OC ZINC001161858629 1072231717 /nfs/dbraw/zinc/23/17/17/1072231717.db2.gz WZCHOJVONPXIIP-JSCYOIMZSA-N -1 0 424.384 -2.084 20 0 HAADRM COC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1OC ZINC001161858631 1072231757 /nfs/dbraw/zinc/23/17/57/1072231757.db2.gz WZCHOJVONPXIIP-RDROLGDGSA-N -1 0 424.384 -2.084 20 0 HAADRM CCOC(=O)c1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(C)c1 ZINC001161858633 1072231710 /nfs/dbraw/zinc/23/17/10/1072231710.db2.gz XALREHJFPKXRIE-ACVJOUTJSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(C)c1 ZINC001161858635 1072231783 /nfs/dbraw/zinc/23/17/83/1072231783.db2.gz XALREHJFPKXRIE-LEQHPZHVSA-N -1 0 422.412 -1.394 20 0 HAADRM CS(=O)(=O)c1cccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858673 1072232141 /nfs/dbraw/zinc/23/21/41/1072232141.db2.gz XKIYVWKZHALWGF-SWRBICTNSA-N -1 0 414.414 -2.476 20 0 HAADRM CS(=O)(=O)c1cccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858675 1072232146 /nfs/dbraw/zinc/23/21/46/1072232146.db2.gz XKIYVWKZHALWGF-ZYJZCQHASA-N -1 0 414.414 -2.476 20 0 HAADRM CCOC(=O)c1c(C)ncnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858696 1072232131 /nfs/dbraw/zinc/23/21/31/1072232131.db2.gz ODXCQYLKSISFLL-JSCYOIMZSA-N -1 0 423.400 -1.999 20 0 HAADRM CCOC(=O)c1c(C)ncnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858697 1072232128 /nfs/dbraw/zinc/23/21/28/1072232128.db2.gz ODXCQYLKSISFLL-RDROLGDGSA-N -1 0 423.400 -1.999 20 0 HAADRM COc1nnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c2ccccc21 ZINC001161858708 1072232158 /nfs/dbraw/zinc/23/21/58/1072232158.db2.gz OKCKYNCWQPPSTF-ACVJOUTJSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1nnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c2ccccc21 ZINC001161858710 1072232074 /nfs/dbraw/zinc/23/20/74/1072232074.db2.gz OKCKYNCWQPPSTF-LEQHPZHVSA-N -1 0 417.396 -1.323 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cncc(N3CCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161858724 1072232058 /nfs/dbraw/zinc/23/20/58/1072232058.db2.gz ONODQSWYQXZYAA-LXOGICJWSA-N -1 0 406.417 -1.884 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cncc(N3CCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161858725 1072232066 /nfs/dbraw/zinc/23/20/66/1072232066.db2.gz ONODQSWYQXZYAA-OJGWYHNPSA-N -1 0 406.417 -1.884 20 0 HAADRM COc1ccc2nc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)ncc2c1 ZINC001161858729 1072232081 /nfs/dbraw/zinc/23/20/81/1072232081.db2.gz OXKFHFKRDCPAIN-DHGKCCLASA-N -1 0 417.396 -1.323 20 0 HAADRM COc1ccc2nc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)ncc2c1 ZINC001161858732 1072232042 /nfs/dbraw/zinc/23/20/42/1072232042.db2.gz OXKFHFKRDCPAIN-KSTCHIGDSA-N -1 0 417.396 -1.323 20 0 HAADRM CCOC(=O)c1cncnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858736 1072232052 /nfs/dbraw/zinc/23/20/52/1072232052.db2.gz XVMUCLHKZKBHIC-ACDNLYMZSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1cncnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858741 1072232112 /nfs/dbraw/zinc/23/21/12/1072232112.db2.gz XVMUCLHKZKBHIC-RGXSPZPFSA-N -1 0 409.373 -2.308 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cc(-c3ccncc3)ncn2)[C@@H](O)[C@@H]1O ZINC001161858780 1072232100 /nfs/dbraw/zinc/23/21/00/1072232100.db2.gz PHHZSBJGMCGBRQ-DIAXPKBXSA-N -1 0 414.396 -1.423 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cc(-c3ccncc3)ncn2)[C@@H](O)[C@@H]1O ZINC001161858781 1072232118 /nfs/dbraw/zinc/23/21/18/1072232118.db2.gz PHHZSBJGMCGBRQ-GZENYHORSA-N -1 0 414.396 -1.423 20 0 HAADRM C=C(OCC)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nn1 ZINC001161858792 1072232154 /nfs/dbraw/zinc/23/21/54/1072232154.db2.gz PLZPJXCUNRCCRY-DKTYCGPESA-N -1 0 407.401 -1.477 20 0 HAADRM C=C(OCC)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nn1 ZINC001161858794 1072232115 /nfs/dbraw/zinc/23/21/15/1072232115.db2.gz PLZPJXCUNRCCRY-FZGMBXNASA-N -1 0 407.401 -1.477 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nnc(Cl)c3ccncc23)[C@@H](O)[C@@H]1O ZINC001161858806 1072232136 /nfs/dbraw/zinc/23/21/36/1072232136.db2.gz XWJNRTRTQGELMQ-ACDNLYMZSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nnc(Cl)c3ccncc23)[C@@H](O)[C@@H]1O ZINC001161858807 1072232150 /nfs/dbraw/zinc/23/21/50/1072232150.db2.gz XWJNRTRTQGELMQ-RGXSPZPFSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3cnccc32)[C@@H](O)[C@@H]1O ZINC001161858809 1072232545 /nfs/dbraw/zinc/23/25/45/1072232545.db2.gz XXQSLIRPVUMMJU-CDPPZIPSSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3cnccc32)[C@@H](O)[C@@H]1O ZINC001161858810 1072232519 /nfs/dbraw/zinc/23/25/19/1072232519.db2.gz XXQSLIRPVUMMJU-SANCVJEGSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ccc(N3CCCCC3)nn2)[C@@H](O)[C@@H]1O ZINC001161858825 1072232592 /nfs/dbraw/zinc/23/25/92/1072232592.db2.gz YLBDMIDWEYMJTL-WMESBKTJSA-N -1 0 420.444 -1.494 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ccc(N3CCCCC3)nn2)[C@@H](O)[C@@H]1O ZINC001161858826 1072232489 /nfs/dbraw/zinc/23/24/89/1072232489.db2.gz YLBDMIDWEYMJTL-YGARTUKASA-N -1 0 420.444 -1.494 20 0 HAADRM COC(OC)c1cc(C)cnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858908 1072232637 /nfs/dbraw/zinc/23/26/37/1072232637.db2.gz QCZXSUDUUSMRKU-CBLPJQPBSA-N -1 0 424.428 -1.280 20 0 HAADRM COC(OC)c1cc(C)cnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858909 1072232494 /nfs/dbraw/zinc/23/24/94/1072232494.db2.gz QCZXSUDUUSMRKU-SKENRDBWSA-N -1 0 424.428 -1.280 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cnc3ccc(F)cc3n2)[C@@H](O)[C@@H]1O ZINC001161858918 1072232512 /nfs/dbraw/zinc/23/25/12/1072232512.db2.gz QIEMAUSBGUQWOW-DKTYCGPESA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cnc3ccc(F)cc3n2)[C@@H](O)[C@@H]1O ZINC001161858919 1072232609 /nfs/dbraw/zinc/23/26/09/1072232609.db2.gz QIEMAUSBGUQWOW-FZGMBXNASA-N -1 0 405.360 -1.192 20 0 HAADRM COc1ccc(Cl)c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161858926 1072232480 /nfs/dbraw/zinc/23/24/80/1072232480.db2.gz QNLFCUZDSOHZJZ-SWRBICTNSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1ccc(Cl)c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161858927 1072232604 /nfs/dbraw/zinc/23/26/04/1072232604.db2.gz QNLFCUZDSOHZJZ-ZYJZCQHASA-N -1 0 400.793 -1.218 20 0 HAADRM COC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1C ZINC001161858932 1072232599 /nfs/dbraw/zinc/23/25/99/1072232599.db2.gz QRLJFARRHCKYOU-MNNAQAQOSA-N -1 0 408.385 -1.784 20 0 HAADRM COC(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1C ZINC001161858933 1072232567 /nfs/dbraw/zinc/23/25/67/1072232567.db2.gz QRLJFARRHCKYOU-PDOXLSOOSA-N -1 0 408.385 -1.784 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nccc(N3CCCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161858940 1072232626 /nfs/dbraw/zinc/23/26/26/1072232626.db2.gz QTTFSCYIWMKDCN-DKTYCGPESA-N -1 0 420.444 -1.494 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nccc(N3CCCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161858942 1072232553 /nfs/dbraw/zinc/23/25/53/1072232553.db2.gz QTTFSCYIWMKDCN-FZGMBXNASA-N -1 0 420.444 -1.494 20 0 HAADRM COc1ccc2ncc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc2c1 ZINC001161858954 1072233122 /nfs/dbraw/zinc/23/31/22/1072233122.db2.gz QZZJXHORBWEIPB-DIAXPKBXSA-N -1 0 417.396 -1.323 20 0 HAADRM COc1ccc2ncc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc2c1 ZINC001161858956 1072232981 /nfs/dbraw/zinc/23/29/81/1072232981.db2.gz QZZJXHORBWEIPB-GZENYHORSA-N -1 0 417.396 -1.323 20 0 HAADRM C[C@@H]1CCc2nnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cc2C1 ZINC001161859216 1072232993 /nfs/dbraw/zinc/23/29/93/1072232993.db2.gz CYAGDGGAQZVFKS-FXLYPFAZSA-N -1 0 405.429 -1.360 20 0 HAADRM C[C@@H]1CCc2nnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cc2C1 ZINC001161859221 1072232972 /nfs/dbraw/zinc/23/29/72/1072232972.db2.gz CYAGDGGAQZVFKS-OJFHQVKMSA-N -1 0 405.429 -1.360 20 0 HAADRM C[C@H]1CCc2nnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)cc2C1 ZINC001161859223 1072233083 /nfs/dbraw/zinc/23/30/83/1072233083.db2.gz CYAGDGGAQZVFKS-UPLSUPMASA-N -1 0 405.429 -1.360 20 0 HAADRM C[C@H]1CCc2nnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)cc2C1 ZINC001161859226 1072232936 /nfs/dbraw/zinc/23/29/36/1072232936.db2.gz CYAGDGGAQZVFKS-VEAJHOLNSA-N -1 0 405.429 -1.360 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cc(-c3ccccn3)ncn2)[C@@H](O)[C@@H]1O ZINC001161859278 1072233004 /nfs/dbraw/zinc/23/30/04/1072233004.db2.gz RPWDJOXDLAWLAN-DIAXPKBXSA-N -1 0 414.396 -1.423 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cc(-c3ccccn3)ncn2)[C@@H](O)[C@@H]1O ZINC001161859279 1072233144 /nfs/dbraw/zinc/23/31/44/1072233144.db2.gz RPWDJOXDLAWLAN-GZENYHORSA-N -1 0 414.396 -1.423 20 0 HAADRM CCN(CC)c1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ncn1 ZINC001161859292 1072233092 /nfs/dbraw/zinc/23/30/92/1072233092.db2.gz RZFFZIYCZFDIQU-LXOGICJWSA-N -1 0 408.433 -1.638 20 0 HAADRM CCN(CC)c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ncn1 ZINC001161859293 1072232947 /nfs/dbraw/zinc/23/29/47/1072232947.db2.gz RZFFZIYCZFDIQU-OJGWYHNPSA-N -1 0 408.433 -1.638 20 0 HAADRM COc1cccc2cnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc21 ZINC001161859314 1072233064 /nfs/dbraw/zinc/23/30/64/1072233064.db2.gz SOQZZOXGAGXQRJ-DKTYCGPESA-N -1 0 417.396 -1.323 20 0 HAADRM COc1cccc2cnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc21 ZINC001161859315 1072233027 /nfs/dbraw/zinc/23/30/27/1072233027.db2.gz SOQZZOXGAGXQRJ-FZGMBXNASA-N -1 0 417.396 -1.323 20 0 HAADRM CCOC(=O)c1cc(C)cnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161859332 1072233111 /nfs/dbraw/zinc/23/31/11/1072233111.db2.gz SXNKANMBGIXBOW-ACVJOUTJSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1cc(C)cnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161859333 1072233160 /nfs/dbraw/zinc/23/31/60/1072233160.db2.gz SXNKANMBGIXBOW-LEQHPZHVSA-N -1 0 422.412 -1.394 20 0 HAADRM CCOC(=O)c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1C ZINC001161859336 1072233053 /nfs/dbraw/zinc/23/30/53/1072233053.db2.gz TUWJJBAWPOCMDF-CJJWORHMSA-N -1 0 423.400 -1.999 20 0 HAADRM CCOC(=O)c1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1C ZINC001161859337 1072233154 /nfs/dbraw/zinc/23/31/54/1072233154.db2.gz TUWJJBAWPOCMDF-VDWIVTDKSA-N -1 0 423.400 -1.999 20 0 HAADRM CC1(C)OC(=O)c2c1ccnc2N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161859340 1072233135 /nfs/dbraw/zinc/23/31/35/1072233135.db2.gz TWRQQSNNTZOICX-JSCYOIMZSA-N -1 0 420.396 -1.474 20 0 HAADRM CC1(C)OC(=O)c2c1ccnc2N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161859341 1072233041 /nfs/dbraw/zinc/23/30/41/1072233041.db2.gz TWRQQSNNTZOICX-RDROLGDGSA-N -1 0 420.396 -1.474 20 0 HAADRM CSc1cnc(Cl)c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161859342 1072233501 /nfs/dbraw/zinc/23/35/01/1072233501.db2.gz TXPBYGLPDZLPJE-IQUTXCMISA-N -1 0 417.849 -1.109 20 0 HAADRM CSc1cnc(Cl)c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161859343 1072233496 /nfs/dbraw/zinc/23/34/96/1072233496.db2.gz TXPBYGLPDZLPJE-PTFLPILLSA-N -1 0 417.849 -1.109 20 0 HAADRM Cc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc(-c2ccco2)n1 ZINC001161859408 1072233553 /nfs/dbraw/zinc/23/35/53/1072233553.db2.gz DYVPGFQHGGZKRC-DECHUDPFSA-N -1 0 417.396 -1.494 20 0 HAADRM Cc1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc(-c2ccco2)n1 ZINC001161859412 1072233522 /nfs/dbraw/zinc/23/35/22/1072233522.db2.gz DYVPGFQHGGZKRC-RFNSYMJRSA-N -1 0 417.396 -1.494 20 0 HAADRM COc1ncc(Cl)c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161859426 1072233601 /nfs/dbraw/zinc/23/36/01/1072233601.db2.gz FHVPMHKYSVUZKD-PZACJGDYSA-N -1 0 401.781 -1.823 20 0 HAADRM COc1ncc(Cl)c(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161859428 1072233585 /nfs/dbraw/zinc/23/35/85/1072233585.db2.gz FHVPMHKYSVUZKD-VRRGKTLJSA-N -1 0 401.781 -1.823 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ccc(-c3ccncc3)nn2)[C@@H](O)[C@@H]1O ZINC001161859460 1072233487 /nfs/dbraw/zinc/23/34/87/1072233487.db2.gz FUIQJJGMEQVIDZ-DIAXPKBXSA-N -1 0 414.396 -1.423 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ccc(-c3ccncc3)nn2)[C@@H](O)[C@@H]1O ZINC001161859462 1072233510 /nfs/dbraw/zinc/23/35/10/1072233510.db2.gz FUIQJJGMEQVIDZ-GZENYHORSA-N -1 0 414.396 -1.423 20 0 HAADRM CON(C)C(=O)c1ccnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001161859505 1072233505 /nfs/dbraw/zinc/23/35/05/1072233505.db2.gz HDPLSYHXFSWWAQ-MNNAQAQOSA-N -1 0 423.400 -2.246 20 0 HAADRM CON(C)C(=O)c1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001161859509 1072233514 /nfs/dbraw/zinc/23/35/14/1072233514.db2.gz HDPLSYHXFSWWAQ-PDOXLSOOSA-N -1 0 423.400 -2.246 20 0 HAADRM Cc1cc2ccncc2nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161859511 1072233594 /nfs/dbraw/zinc/23/35/94/1072233594.db2.gz HGNQLRWNPWETNP-FTQJZPFOSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1cc2ccncc2nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161859513 1072233578 /nfs/dbraw/zinc/23/35/78/1072233578.db2.gz HGNQLRWNPWETNP-HVNMYJMUSA-N -1 0 401.397 -1.023 20 0 HAADRM CS(=O)(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001161859680 1072233478 /nfs/dbraw/zinc/23/34/78/1072233478.db2.gz UORIMRGLZNOCEU-RGHQJQCBSA-N -1 0 414.414 -2.476 20 0 HAADRM CS(=O)(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001161859681 1072233465 /nfs/dbraw/zinc/23/34/65/1072233465.db2.gz UORIMRGLZNOCEU-YNVCDSSISA-N -1 0 414.414 -2.476 20 0 HAADRM COc1cc(Cl)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001161859692 1072233573 /nfs/dbraw/zinc/23/35/73/1072233573.db2.gz UUSDYCZJRBLTII-BWHCZOGYSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1cc(Cl)nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001161859693 1072233559 /nfs/dbraw/zinc/23/35/59/1072233559.db2.gz UUSDYCZJRBLTII-NJOIIQIHSA-N -1 0 400.793 -1.218 20 0 HAADRM Cc1cccc2ncnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c12 ZINC001161859700 1072233484 /nfs/dbraw/zinc/23/34/84/1072233484.db2.gz UZCGTZUILYBMJJ-DECHUDPFSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1cccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c12 ZINC001161859701 1072233567 /nfs/dbraw/zinc/23/35/67/1072233567.db2.gz UZCGTZUILYBMJJ-RFNSYMJRSA-N -1 0 401.397 -1.023 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3cc(Cl)cnc32)[C@@H](O)[C@@H]1O ZINC001161859708 1072233980 /nfs/dbraw/zinc/23/39/80/1072233980.db2.gz VJIWFAFAWLIUKE-BCPMIOLYSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3cc(Cl)cnc32)[C@@H](O)[C@@H]1O ZINC001161859709 1072234049 /nfs/dbraw/zinc/23/40/49/1072234049.db2.gz VJIWFAFAWLIUKE-SDAAFIMUSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nncc3ccc(F)cc32)[C@@H](O)[C@@H]1O ZINC001161859710 1072233972 /nfs/dbraw/zinc/23/39/72/1072233972.db2.gz VLORICJZZPMIAP-CBLPJQPBSA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nncc3ccc(F)cc32)[C@@H](O)[C@@H]1O ZINC001161859711 1072234071 /nfs/dbraw/zinc/23/40/71/1072234071.db2.gz VLORICJZZPMIAP-SKENRDBWSA-N -1 0 405.360 -1.192 20 0 HAADRM CCN(CC)c1cncc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161859716 1072234057 /nfs/dbraw/zinc/23/40/57/1072234057.db2.gz VMVBMNMTQOWVJX-LXOGICJWSA-N -1 0 408.433 -1.638 20 0 HAADRM CCN(CC)c1cncc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161859717 1072234085 /nfs/dbraw/zinc/23/40/85/1072234085.db2.gz VMVBMNMTQOWVJX-OJGWYHNPSA-N -1 0 408.433 -1.638 20 0 HAADRM CCOc1c(Cl)ncnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161859718 1072233962 /nfs/dbraw/zinc/23/39/62/1072233962.db2.gz VNMAWJHYTCIMEF-NXHMJRQSSA-N -1 0 415.808 -1.432 20 0 HAADRM CCOc1c(Cl)ncnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161859719 1072234042 /nfs/dbraw/zinc/23/40/42/1072234042.db2.gz VNMAWJHYTCIMEF-VZFBLLBOSA-N -1 0 415.808 -1.432 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nnc(Cl)c3cccnc23)[C@@H](O)[C@@H]1O ZINC001161859744 1072234015 /nfs/dbraw/zinc/23/40/15/1072234015.db2.gz WEGYGHWNFSUFEY-ABDJVACUSA-N -1 0 422.803 -1.283 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nnc(Cl)c3cccnc23)[C@@H](O)[C@@H]1O ZINC001161859745 1072233936 /nfs/dbraw/zinc/23/39/36/1072233936.db2.gz WEGYGHWNFSUFEY-RRDYINPDSA-N -1 0 422.803 -1.283 20 0 HAADRM COc1ccc(Cl)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161859754 1072234024 /nfs/dbraw/zinc/23/40/24/1072234024.db2.gz WMKOUMZBSCIUEW-SWRBICTNSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1ccc(Cl)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161859755 1072234033 /nfs/dbraw/zinc/23/40/33/1072234033.db2.gz WMKOUMZBSCIUEW-ZYJZCQHASA-N -1 0 400.793 -1.218 20 0 HAADRM COc1cc(Cl)cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161859766 1072234080 /nfs/dbraw/zinc/23/40/80/1072234080.db2.gz WSPXGZKSEWYXHW-BWHCZOGYSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1cc(Cl)cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161859767 1072233991 /nfs/dbraw/zinc/23/39/91/1072233991.db2.gz WSPXGZKSEWYXHW-NJOIIQIHSA-N -1 0 400.793 -1.218 20 0 HAADRM Cc1cccc2ncc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)nc12 ZINC001161860076 1072233916 /nfs/dbraw/zinc/23/39/16/1072233916.db2.gz XBUJPQNFBDIODT-WMESBKTJSA-N -1 0 401.397 -1.023 20 0 HAADRM Cc1cccc2ncc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)nc12 ZINC001161860077 1072233926 /nfs/dbraw/zinc/23/39/26/1072233926.db2.gz XBUJPQNFBDIODT-YGARTUKASA-N -1 0 401.397 -1.023 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cncc(N3CCCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161860084 1072234466 /nfs/dbraw/zinc/23/44/66/1072234466.db2.gz XEIADNFNLSVWNL-WMESBKTJSA-N -1 0 420.444 -1.494 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cncc(N3CCCCC3)n2)[C@@H](O)[C@@H]1O ZINC001161860085 1072234470 /nfs/dbraw/zinc/23/44/70/1072234470.db2.gz XEIADNFNLSVWNL-YGARTUKASA-N -1 0 420.444 -1.494 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncc3cc(F)ccc3n2)[C@@H](O)[C@@H]1O ZINC001161860090 1072234526 /nfs/dbraw/zinc/23/45/26/1072234526.db2.gz XGOVSRNSXUJRSO-SYLRKERUSA-N -1 0 405.360 -1.192 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncc3cc(F)ccc3n2)[C@@H](O)[C@@H]1O ZINC001161860091 1072234459 /nfs/dbraw/zinc/23/44/59/1072234459.db2.gz XGOVSRNSXUJRSO-VEGXAWMVSA-N -1 0 405.360 -1.192 20 0 HAADRM CCOC(=O)c1nccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161860118 1072234517 /nfs/dbraw/zinc/23/45/17/1072234517.db2.gz XMKURWURRHJQEY-KWGHVAAJSA-N -1 0 409.373 -2.308 20 0 HAADRM CCOC(=O)c1nccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161860119 1072234522 /nfs/dbraw/zinc/23/45/22/1072234522.db2.gz XMKURWURRHJQEY-PCQSUOBHSA-N -1 0 409.373 -2.308 20 0 HAADRM COc1nc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccc1Cl ZINC001161860122 1072234506 /nfs/dbraw/zinc/23/45/06/1072234506.db2.gz XPFPEFBQPHVXBL-SWRBICTNSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccc1Cl ZINC001161860123 1072234510 /nfs/dbraw/zinc/23/45/10/1072234510.db2.gz XPFPEFBQPHVXBL-ZYJZCQHASA-N -1 0 400.793 -1.218 20 0 HAADRM COC(=O)c1c(C)cc(C)nc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161860167 1072234439 /nfs/dbraw/zinc/23/44/39/1072234439.db2.gz YRSGYYQPLIAJFT-NZIXVDBUSA-N -1 0 422.412 -1.476 20 0 HAADRM COC(=O)c1c(C)cc(C)nc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161860168 1072234495 /nfs/dbraw/zinc/23/44/95/1072234495.db2.gz YRSGYYQPLIAJFT-WSWLIKMPSA-N -1 0 422.412 -1.476 20 0 HAADRM CC(C)OC(=O)c1cccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161860406 1072234427 /nfs/dbraw/zinc/23/44/27/1072234427.db2.gz PCBCPANWFMBNIB-ACVJOUTJSA-N -1 0 422.412 -1.314 20 0 HAADRM CC(C)OC(=O)c1cccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161860407 1072234533 /nfs/dbraw/zinc/23/45/33/1072234533.db2.gz PCBCPANWFMBNIB-LEQHPZHVSA-N -1 0 422.412 -1.314 20 0 HAADRM CCOC(=O)Cc1ccnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001161860464 1072235012 /nfs/dbraw/zinc/23/50/12/1072235012.db2.gz RETWOCJBKJRZSV-WMESBKTJSA-N -1 0 422.412 -1.774 20 0 HAADRM CCOC(=O)Cc1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001161860465 1072235027 /nfs/dbraw/zinc/23/50/27/1072235027.db2.gz RETWOCJBKJRZSV-YGARTUKASA-N -1 0 422.412 -1.774 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nccnc2OC2CCC2)[C@@H](O)[C@@H]1O ZINC001161860484 1072235047 /nfs/dbraw/zinc/23/50/47/1072235047.db2.gz RTKFEHHTXCGXNN-GIBVNIFISA-N -1 0 407.401 -1.553 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nccnc2OC2CCC2)[C@@H](O)[C@@H]1O ZINC001161860485 1072235089 /nfs/dbraw/zinc/23/50/89/1072235089.db2.gz RTKFEHHTXCGXNN-GOBQNSBTSA-N -1 0 407.401 -1.553 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ccc(-c3ccccn3)nn2)[C@@H](O)[C@@H]1O ZINC001161860644 1072234913 /nfs/dbraw/zinc/23/49/13/1072234913.db2.gz UVPVOHCUJLVQDG-DIAXPKBXSA-N -1 0 414.396 -1.423 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ccc(-c3ccccn3)nn2)[C@@H](O)[C@@H]1O ZINC001161860645 1072235083 /nfs/dbraw/zinc/23/50/83/1072235083.db2.gz UVPVOHCUJLVQDG-GZENYHORSA-N -1 0 414.396 -1.423 20 0 HAADRM Cc1cnc2c(ccnc2N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001161860660 1072235005 /nfs/dbraw/zinc/23/50/05/1072235005.db2.gz VFWLIKVBJIVHKH-MNNAQAQOSA-N -1 0 402.385 -1.628 20 0 HAADRM Cc1cnc2c(ccnc2N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001161860661 1072234956 /nfs/dbraw/zinc/23/49/56/1072234956.db2.gz VFWLIKVBJIVHKH-PDOXLSOOSA-N -1 0 402.385 -1.628 20 0 HAADRM COc1ccnc(Cl)c1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161860671 1072234995 /nfs/dbraw/zinc/23/49/95/1072234995.db2.gz VNDPIKKUBDJGAB-SWRBICTNSA-N -1 0 400.793 -1.218 20 0 HAADRM COc1ccnc(Cl)c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161860672 1072235075 /nfs/dbraw/zinc/23/50/75/1072235075.db2.gz VNDPIKKUBDJGAB-ZYJZCQHASA-N -1 0 400.793 -1.218 20 0 HAADRM COC(=O)CNS(=O)(=O)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1 ZINC001167857507 1070931170 /nfs/dbraw/zinc/93/11/70/1070931170.db2.gz DRZWAQHYTHOAGN-CPCISQLKSA-N -1 0 408.414 -1.653 20 0 HAADRM C[C@H]1[C@H](Nc2ncccc2S(=O)(=O)N2CCN(C)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001167857722 1070931895 /nfs/dbraw/zinc/93/18/95/1070931895.db2.gz GIGXCSMBWSCQHW-JQWIXIFHSA-N -1 0 419.485 -1.168 20 0 HAADRM C[C@H]1[C@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001167859162 1070932011 /nfs/dbraw/zinc/93/20/11/1070932011.db2.gz VHVPQBUZAITAIN-GWCFXTLKSA-N -1 0 419.485 -1.168 20 0 HAADRM COC(=O)Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1S(N)(=O)=O ZINC001167861591 1070932027 /nfs/dbraw/zinc/93/20/27/1070932027.db2.gz MFKIVAFPEWNZDL-MADCSZMMSA-N -1 0 407.426 -1.137 20 0 HAADRM Cc1cn(CC(=O)NCCNc2ccc3c(c2)S(=O)(=O)[N-]C3=O)c(=O)[nH]c1=O ZINC001171087807 1071738100 /nfs/dbraw/zinc/73/81/00/1071738100.db2.gz JEANQNLOFXNQBF-UHFFFAOYSA-N -1 0 407.408 -1.082 20 0 HAADRM Cc1cc(=O)n(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)nn2)[n-]1 ZINC001171261868 1071764966 /nfs/dbraw/zinc/76/49/66/1071764966.db2.gz COGPZLXUBFVRCN-DIZXAZRYSA-N -1 0 416.398 -1.698 20 0 HAADRM N[C@H]1[C@H](n2ccc(Nc3ccc4c(c3)S(=O)(=O)[N-]C4=O)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264471 1071767764 /nfs/dbraw/zinc/76/77/64/1071767764.db2.gz HZNDKSALBQDEGT-QGMIFYJMSA-N -1 0 423.407 -2.169 20 0 HAADRM N[C@H]1[C@H](n2ccc(=Nc3cccn(-c4cccnc4)c3=O)nc2[O-])O[C@H](CO)[C@H]1O ZINC001171266802 1071768765 /nfs/dbraw/zinc/76/87/65/1071768765.db2.gz MVEIDGUQIGRGEM-GFOCRRMGSA-N -1 0 412.406 -1.055 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@]34COCCN3C(=O)COC4)cc2=O)n1 ZINC001171788403 1071779298 /nfs/dbraw/zinc/77/92/98/1071779298.db2.gz VBVFMXKRUISBNM-GOSISDBHSA-N -1 0 402.411 -1.070 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@@]34COCCN3C(=O)COC4)cc2=O)n1 ZINC001171788404 1071779304 /nfs/dbraw/zinc/77/93/04/1071779304.db2.gz VBVFMXKRUISBNM-SFHVURJKSA-N -1 0 402.411 -1.070 20 0 HAADRM COc1cccc2c1C[C@@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)CO2 ZINC001173159495 1071781560 /nfs/dbraw/zinc/78/15/60/1071781560.db2.gz JMCQSQOBWVILOE-ALLAJJHJSA-N -1 0 421.424 -1.785 20 0 HAADRM COc1cccc2c1C[C@H](N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)CO2 ZINC001173159498 1071781449 /nfs/dbraw/zinc/78/14/49/1071781449.db2.gz JMCQSQOBWVILOE-FSJRPERPSA-N -1 0 421.424 -1.785 20 0 HAADRM COc1cccc2c1C[C@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)CO2 ZINC001173159500 1071781520 /nfs/dbraw/zinc/78/15/20/1071781520.db2.gz JMCQSQOBWVILOE-IKTBGSDFSA-N -1 0 421.424 -1.785 20 0 HAADRM COc1cccc2c1C[C@@H](N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)CO2 ZINC001173159504 1071781466 /nfs/dbraw/zinc/78/14/66/1071781466.db2.gz JMCQSQOBWVILOE-ILBACIQZSA-N -1 0 421.424 -1.785 20 0 HAADRM CN(C)S(=O)(=O)c1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001174256877 1071782801 /nfs/dbraw/zinc/78/28/01/1071782801.db2.gz YGYXJOAOIPGRDN-UHFFFAOYSA-N -1 0 404.430 -1.052 20 0 HAADRM CC(C)c1nc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)no1 ZINC001175297235 1071783947 /nfs/dbraw/zinc/78/39/47/1071783947.db2.gz PQWVVYOJMHLCPM-GRUBMNGISA-N -1 0 411.389 -2.521 20 0 HAADRM CC(C)c1nc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)no1 ZINC001175297242 1071784026 /nfs/dbraw/zinc/78/40/26/1071784026.db2.gz PQWVVYOJMHLCPM-PANHDGANSA-N -1 0 411.389 -2.521 20 0 HAADRM COc1cccc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001175356362 1071783997 /nfs/dbraw/zinc/78/39/97/1071783997.db2.gz KYUDGXONSLUGEQ-WMESBKTJSA-N -1 0 422.412 -2.234 20 0 HAADRM COc1cccc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001175356366 1071784055 /nfs/dbraw/zinc/78/40/55/1071784055.db2.gz KYUDGXONSLUGEQ-YGARTUKASA-N -1 0 422.412 -2.234 20 0 HAADRM O=C(CCc1ccc(F)nc1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001175404869 1071784587 /nfs/dbraw/zinc/78/45/87/1071784587.db2.gz BDZNFTVWHJJXQC-LXOGICJWSA-N -1 0 410.376 -2.104 20 0 HAADRM O=C(CCc1ccc(F)nc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001175404870 1071784522 /nfs/dbraw/zinc/78/45/22/1071784522.db2.gz BDZNFTVWHJJXQC-OJGWYHNPSA-N -1 0 410.376 -2.104 20 0 HAADRM O=C(CCc1cc(F)ccn1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001175461179 1071784496 /nfs/dbraw/zinc/78/44/96/1071784496.db2.gz LBIXMVMYIMKCMJ-DKTYCGPESA-N -1 0 410.376 -2.104 20 0 HAADRM O=C(CCc1cc(F)ccn1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001175461180 1071784537 /nfs/dbraw/zinc/78/45/37/1071784537.db2.gz LBIXMVMYIMKCMJ-FZGMBXNASA-N -1 0 410.376 -2.104 20 0 HAADRM COc1cccnc1CCC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001175513405 1071784558 /nfs/dbraw/zinc/78/45/58/1071784558.db2.gz YRCWIAZOCLIDMS-DIAXPKBXSA-N -1 0 422.412 -2.234 20 0 HAADRM COc1cccnc1CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001175513407 1071784507 /nfs/dbraw/zinc/78/45/07/1071784507.db2.gz YRCWIAZOCLIDMS-GZENYHORSA-N -1 0 422.412 -2.234 20 0 HAADRM Cc1ccc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)s1 ZINC001175646368 1071785504 /nfs/dbraw/zinc/78/55/04/1071785504.db2.gz SKGURCDJCDCATF-DKTYCGPESA-N -1 0 411.454 -1.268 20 0 HAADRM Cc1ccc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)s1 ZINC001175646369 1071785521 /nfs/dbraw/zinc/78/55/21/1071785521.db2.gz SKGURCDJCDCATF-FZGMBXNASA-N -1 0 411.454 -1.268 20 0 HAADRM COc1cncc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001175836818 1071785695 /nfs/dbraw/zinc/78/56/95/1071785695.db2.gz ZZSGFHJFCZCRBQ-DIAXPKBXSA-N -1 0 422.412 -2.234 20 0 HAADRM COc1cncc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001175836819 1071785534 /nfs/dbraw/zinc/78/55/34/1071785534.db2.gz ZZSGFHJFCZCRBQ-GZENYHORSA-N -1 0 422.412 -2.234 20 0 HAADRM Cc1cnccc1CCC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001175897068 1071785494 /nfs/dbraw/zinc/78/54/94/1071785494.db2.gz AHCRAKOHXAPSFW-DIAXPKBXSA-N -1 0 406.413 -1.934 20 0 HAADRM Cc1cnccc1CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001175897069 1071785475 /nfs/dbraw/zinc/78/54/75/1071785475.db2.gz AHCRAKOHXAPSFW-GZENYHORSA-N -1 0 406.413 -1.934 20 0 HAADRM Cc1cncc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001176092543 1071785544 /nfs/dbraw/zinc/78/55/44/1071785544.db2.gz ODHJVQMDRQDLKL-DIAXPKBXSA-N -1 0 406.413 -1.934 20 0 HAADRM Cc1cncc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001176092545 1071786080 /nfs/dbraw/zinc/78/60/80/1071786080.db2.gz ODHJVQMDRQDLKL-GZENYHORSA-N -1 0 406.413 -1.934 20 0 HAADRM Cc1csc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001176201958 1071786066 /nfs/dbraw/zinc/78/60/66/1071786066.db2.gz ZRFRFVPHLARVKI-DKTYCGPESA-N -1 0 411.454 -1.268 20 0 HAADRM Cc1csc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001176201960 1071786303 /nfs/dbraw/zinc/78/63/03/1071786303.db2.gz ZRFRFVPHLARVKI-FZGMBXNASA-N -1 0 411.454 -1.268 20 0 HAADRM COc1ncccc1CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001176267956 1071786232 /nfs/dbraw/zinc/78/62/32/1071786232.db2.gz OCUOKYHEXYHJNH-MNNAQAQOSA-N -1 0 408.385 -2.624 20 0 HAADRM COc1ncccc1CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001176267957 1071786361 /nfs/dbraw/zinc/78/63/61/1071786361.db2.gz OCUOKYHEXYHJNH-PDOXLSOOSA-N -1 0 408.385 -2.624 20 0 HAADRM Cc1nnc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)s1 ZINC001176322054 1071786090 /nfs/dbraw/zinc/78/60/90/1071786090.db2.gz MCRNOWSBWKRENG-BWHCZOGYSA-N -1 0 413.430 -2.478 20 0 HAADRM Cc1nnc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)s1 ZINC001176322057 1071786115 /nfs/dbraw/zinc/78/61/15/1071786115.db2.gz MCRNOWSBWKRENG-NJOIIQIHSA-N -1 0 413.430 -2.478 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(c2ccccn2)CC1 ZINC001176809344 1071787302 /nfs/dbraw/zinc/78/73/02/1071787302.db2.gz HAGITFCWCMNNLJ-JOLIMNQDSA-N -1 0 404.397 -2.144 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(c2ccccn2)CC1 ZINC001176809345 1071787438 /nfs/dbraw/zinc/78/74/38/1071787438.db2.gz HAGITFCWCMNNLJ-WECGXBHGSA-N -1 0 404.397 -2.144 20 0 HAADRM O=C(Cc1nnn[n-]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001176839774 1071788071 /nfs/dbraw/zinc/78/80/71/1071788071.db2.gz DHPDOQYBCCHHGA-WWGRRREGSA-N -1 0 405.440 -1.279 20 0 HAADRM CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2nnn[n-]2)CC3)C1=O ZINC001176840978 1071788066 /nfs/dbraw/zinc/78/80/66/1071788066.db2.gz ZZSGSSXCJLNMOQ-INIZCTEOSA-N -1 0 411.488 -1.525 20 0 HAADRM CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2nnn[n-]2)CC3)C1=O ZINC001176840979 1071788035 /nfs/dbraw/zinc/78/80/35/1071788035.db2.gz ZZSGSSXCJLNMOQ-MRXNPFEDSA-N -1 0 411.488 -1.525 20 0 HAADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)Cc2nnn[n-]2)CC1 ZINC001176845502 1071788056 /nfs/dbraw/zinc/78/80/56/1071788056.db2.gz UIAHTLHTDZWCAT-UHFFFAOYSA-N -1 0 403.465 -1.259 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCCNC(=O)c1cccnc1 ZINC001176882580 1071788021 /nfs/dbraw/zinc/78/80/21/1071788021.db2.gz AIGRTKABHWDCPS-UHFFFAOYSA-N -1 0 411.400 -1.046 20 0 HAADRM Cc1ccsc1/C=C/C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001177077756 1071788500 /nfs/dbraw/zinc/78/85/00/1071788500.db2.gz NPUKTGMZHDWKIE-BNBCYZNHSA-N -1 0 409.438 -1.187 20 0 HAADRM Cc1ccsc1/C=C/C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001177077757 1071788434 /nfs/dbraw/zinc/78/84/34/1071788434.db2.gz NPUKTGMZHDWKIE-NFTAVYBLSA-N -1 0 409.438 -1.187 20 0 HAADRM O=C(Cc1cncc(Cl)n1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001177236711 1071788594 /nfs/dbraw/zinc/78/85/94/1071788594.db2.gz FRAOMWVZGWNHNW-BWHCZOGYSA-N -1 0 413.792 -2.584 20 0 HAADRM O=C(Cc1cncc(Cl)n1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001177236712 1071788532 /nfs/dbraw/zinc/78/85/32/1071788532.db2.gz FRAOMWVZGWNHNW-NJOIIQIHSA-N -1 0 413.792 -2.584 20 0 HAADRM Cc1nc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(C)s1 ZINC001177275696 1071789105 /nfs/dbraw/zinc/78/91/05/1071789105.db2.gz XMZOZMYWXAKLBZ-JOLIMNQDSA-N -1 0 412.442 -1.954 20 0 HAADRM Cc1nc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(C)s1 ZINC001177275697 1071788892 /nfs/dbraw/zinc/78/88/92/1071788892.db2.gz XMZOZMYWXAKLBZ-WECGXBHGSA-N -1 0 412.442 -1.954 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C(F)(F)c1ccccn1 ZINC001177305388 1071788617 /nfs/dbraw/zinc/78/86/17/1071788617.db2.gz VLGWGXCJQAURFR-NENRSDFPSA-N -1 0 414.339 -2.083 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C(F)(F)c1ccccn1 ZINC001177305389 1071788550 /nfs/dbraw/zinc/78/85/50/1071788550.db2.gz VLGWGXCJQAURFR-QVDPWDGTSA-N -1 0 414.339 -2.083 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC001177324750 1071789108 /nfs/dbraw/zinc/78/91/08/1071789108.db2.gz CEBLFAKAHQLNQJ-RXMQYKEDSA-N -1 0 415.413 -1.142 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC001177324751 1071788906 /nfs/dbraw/zinc/78/89/06/1071788906.db2.gz CEBLFAKAHQLNQJ-YFKPBYRVSA-N -1 0 415.413 -1.142 20 0 HAADRM CN(CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccn1 ZINC001177417284 1071789579 /nfs/dbraw/zinc/78/95/79/1071789579.db2.gz NHIDZCYEQRANEB-LXOGICJWSA-N -1 0 407.401 -2.739 20 0 HAADRM CN(CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccn1 ZINC001177417286 1071789676 /nfs/dbraw/zinc/78/96/76/1071789676.db2.gz NHIDZCYEQRANEB-OJGWYHNPSA-N -1 0 407.401 -2.739 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCC(=O)Nc1nncs1 ZINC001177444191 1071789512 /nfs/dbraw/zinc/78/95/12/1071789512.db2.gz MNUIFDHWEYUWPM-UHFFFAOYSA-N -1 0 404.390 -1.381 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C[C@H]1c1cccs1 ZINC001177552402 1071789446 /nfs/dbraw/zinc/78/94/46/1071789446.db2.gz UAWPJCVKUXUUFH-PCELAYSISA-N -1 0 409.438 -1.405 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[C@H]1c1cccs1 ZINC001177552403 1071789483 /nfs/dbraw/zinc/78/94/83/1071789483.db2.gz UAWPJCVKUXUUFH-RUJJWVBGSA-N -1 0 409.438 -1.405 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C[C@@H]1c1cccs1 ZINC001177552404 1071789667 /nfs/dbraw/zinc/78/96/67/1071789667.db2.gz UAWPJCVKUXUUFH-XDDOUVHVSA-N -1 0 409.438 -1.405 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[C@@H]1c1cccs1 ZINC001177552405 1071789536 /nfs/dbraw/zinc/78/95/36/1071789536.db2.gz UAWPJCVKUXUUFH-XDGNKDMASA-N -1 0 409.438 -1.405 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(c2ccncc2)CC1 ZINC001177613289 1071790029 /nfs/dbraw/zinc/79/00/29/1071790029.db2.gz VFSFDSGFGFVDKF-SYLRKERUSA-N -1 0 404.397 -2.144 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(c2ccncc2)CC1 ZINC001177613291 1071790061 /nfs/dbraw/zinc/79/00/61/1071790061.db2.gz VFSFDSGFGFVDKF-VEGXAWMVSA-N -1 0 404.397 -2.144 20 0 HAADRM CN1C(=O)C[C@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)[C@H]1c1cccnc1 ZINC001177642080 1071790016 /nfs/dbraw/zinc/79/00/16/1071790016.db2.gz SWSWFRVGZSTRNI-GZMMTYOYSA-N -1 0 423.411 -1.037 20 0 HAADRM O=C(Cc1cc(Cl)ccn1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001177662697 1071790120 /nfs/dbraw/zinc/79/01/20/1071790120.db2.gz KWOVUAAOHADKET-JOLIMNQDSA-N -1 0 412.804 -1.979 20 0 HAADRM O=C(Cc1cc(Cl)ccn1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001177662698 1071790073 /nfs/dbraw/zinc/79/00/73/1071790073.db2.gz KWOVUAAOHADKET-WECGXBHGSA-N -1 0 412.804 -1.979 20 0 HAADRM Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001177737985 1071790899 /nfs/dbraw/zinc/79/08/99/1071790899.db2.gz DNXGXYMULDAANZ-UHFFFAOYSA-N -1 0 405.488 -1.332 20 0 HAADRM Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)Cn1nn[n-]c1=S)CC2 ZINC001177738930 1071790890 /nfs/dbraw/zinc/79/08/90/1071790890.db2.gz MDIOESKDPKDAJI-UHFFFAOYSA-N -1 0 416.471 -1.093 20 0 HAADRM Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)Cn4nn[n-]c4=S)CC[C@@H]32)cn1 ZINC001177739698 1071790858 /nfs/dbraw/zinc/79/08/58/1071790858.db2.gz VMUNSYCWRSXVLD-RWMBFGLXSA-N -1 0 406.472 -1.011 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1=Cc2cccn2C1=O ZINC001177827795 1071790634 /nfs/dbraw/zinc/79/06/34/1071790634.db2.gz ZDKNZZVPURLFRA-GIBVNIFISA-N -1 0 404.353 -2.732 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1=Cc2cccn2C1=O ZINC001177827796 1071790757 /nfs/dbraw/zinc/79/07/57/1071790757.db2.gz ZDKNZZVPURLFRA-GOBQNSBTSA-N -1 0 404.353 -2.732 20 0 HAADRM COc1ccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001177885201 1071791358 /nfs/dbraw/zinc/79/13/58/1071791358.db2.gz QSLGQLFFCSUDJA-LXOGICJWSA-N -1 0 408.385 -2.624 20 0 HAADRM COc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001177885212 1071791316 /nfs/dbraw/zinc/79/13/16/1071791316.db2.gz QSLGQLFFCSUDJA-OJGWYHNPSA-N -1 0 408.385 -2.624 20 0 HAADRM O=C(Cc1ccc(C2CC2)cn1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001177970746 1071791475 /nfs/dbraw/zinc/79/14/75/1071791475.db2.gz NVGULEHHGOPOGM-BTAUDXDXSA-N -1 0 418.424 -1.755 20 0 HAADRM O=C(Cc1ccc(C2CC2)cn1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001177970747 1071791371 /nfs/dbraw/zinc/79/13/71/1071791371.db2.gz NVGULEHHGOPOGM-JPIRQXTESA-N -1 0 418.424 -1.755 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(c2cnccn2)CC1 ZINC001178025821 1071791425 /nfs/dbraw/zinc/79/14/25/1071791425.db2.gz PRTHXHJQTOBTPO-RGHQJQCBSA-N -1 0 405.385 -2.749 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(c2cnccn2)CC1 ZINC001178025829 1071791339 /nfs/dbraw/zinc/79/13/39/1071791339.db2.gz PRTHXHJQTOBTPO-YNVCDSSISA-N -1 0 405.385 -2.749 20 0 HAADRM CC(C)(Cc1cccnc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001178067261 1071791435 /nfs/dbraw/zinc/79/14/35/1071791435.db2.gz ZBIOKSZXZQIRBV-DHGKCCLASA-N -1 0 420.440 -1.607 20 0 HAADRM CC(C)(Cc1cccnc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001178067262 1071791483 /nfs/dbraw/zinc/79/14/83/1071791483.db2.gz ZBIOKSZXZQIRBV-KSTCHIGDSA-N -1 0 420.440 -1.607 20 0 HAADRM Cc1ccnc(C2(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)CC2)c1 ZINC001178074268 1071791946 /nfs/dbraw/zinc/79/19/46/1071791946.db2.gz GLUUSZXETBPJST-DKTYCGPESA-N -1 0 418.424 -1.835 20 0 HAADRM Cc1ccnc(C2(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)CC2)c1 ZINC001178074272 1071791786 /nfs/dbraw/zinc/79/17/86/1071791786.db2.gz GLUUSZXETBPJST-FZGMBXNASA-N -1 0 418.424 -1.835 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(c2ccc(F)cn2)CC1 ZINC001178085152 1071791759 /nfs/dbraw/zinc/79/17/59/1071791759.db2.gz YJQAHTIINANXAP-JOLIMNQDSA-N -1 0 422.387 -2.005 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(c2ccc(F)cn2)CC1 ZINC001178085163 1071791915 /nfs/dbraw/zinc/79/19/15/1071791915.db2.gz YJQAHTIINANXAP-WECGXBHGSA-N -1 0 422.387 -2.005 20 0 HAADRM CC(C)(C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ncccc1F ZINC001178087484 1071791991 /nfs/dbraw/zinc/79/19/91/1071791991.db2.gz HCSBRRPYFSLFTC-CJJWORHMSA-N -1 0 424.403 -1.759 20 0 HAADRM CC(C)(C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ncccc1F ZINC001178087485 1071791981 /nfs/dbraw/zinc/79/19/81/1071791981.db2.gz HCSBRRPYFSLFTC-VDWIVTDKSA-N -1 0 424.403 -1.759 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1CN(c2cnccn2)C1 ZINC001178100438 1071791776 /nfs/dbraw/zinc/79/17/76/1071791776.db2.gz SNGXJLRCXLKJQR-MNNAQAQOSA-N -1 0 420.400 -3.344 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1CN(c2cnccn2)C1 ZINC001178100439 1071791997 /nfs/dbraw/zinc/79/19/97/1071791997.db2.gz SNGXJLRCXLKJQR-PDOXLSOOSA-N -1 0 420.400 -3.344 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1CCc2nccn2C1 ZINC001178121831 1071791934 /nfs/dbraw/zinc/79/19/34/1071791934.db2.gz MDPJXJCXDYPZSW-KLKPRGAGSA-N -1 0 407.401 -2.811 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1CCc2nccn2C1 ZINC001178121832 1071791969 /nfs/dbraw/zinc/79/19/69/1071791969.db2.gz MDPJXJCXDYPZSW-SIGJANPLSA-N -1 0 407.401 -2.811 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1CCc2nccn2C1 ZINC001178121833 1071791826 /nfs/dbraw/zinc/79/18/26/1071791826.db2.gz MDPJXJCXDYPZSW-UNJYRZTGSA-N -1 0 407.401 -2.811 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1CCc2nccn2C1 ZINC001178121834 1071791888 /nfs/dbraw/zinc/79/18/88/1071791888.db2.gz MDPJXJCXDYPZSW-XHIBXCGHSA-N -1 0 407.401 -2.811 20 0 HAADRM Cc1ccc(C2(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)CC2)nc1 ZINC001178144964 1071791924 /nfs/dbraw/zinc/79/19/24/1071791924.db2.gz ARDPAJSZLCUJPH-DKTYCGPESA-N -1 0 418.424 -1.835 20 0 HAADRM Cc1ccc(C2(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)CC2)nc1 ZINC001178144965 1071791851 /nfs/dbraw/zinc/79/18/51/1071791851.db2.gz ARDPAJSZLCUJPH-FZGMBXNASA-N -1 0 418.424 -1.835 20 0 HAADRM CC(C)(Cc1ccccn1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001178190007 1071791904 /nfs/dbraw/zinc/79/19/04/1071791904.db2.gz WHSNMUCANUIDGN-DHGKCCLASA-N -1 0 420.440 -1.607 20 0 HAADRM CC(C)(Cc1ccccn1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001178190008 1071791816 /nfs/dbraw/zinc/79/18/16/1071791816.db2.gz WHSNMUCANUIDGN-KSTCHIGDSA-N -1 0 420.440 -1.607 20 0 HAADRM CC(C)(C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnccn1 ZINC001178199821 1071791952 /nfs/dbraw/zinc/79/19/52/1071791952.db2.gz DBRDXKDVJXHBRA-RGHQJQCBSA-N -1 0 407.401 -2.503 20 0 HAADRM CC(C)(C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnccn1 ZINC001178199825 1071792006 /nfs/dbraw/zinc/79/20/06/1071792006.db2.gz DBRDXKDVJXHBRA-YNVCDSSISA-N -1 0 407.401 -2.503 20 0 HAADRM Cc1cccnc1C1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001178209985 1071792638 /nfs/dbraw/zinc/79/26/38/1071792638.db2.gz KIQDDNFEVBSZBF-CBLPJQPBSA-N -1 0 418.424 -1.835 20 0 HAADRM Cc1cccnc1C1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001178209986 1071792430 /nfs/dbraw/zinc/79/24/30/1071792430.db2.gz KIQDDNFEVBSZBF-SKENRDBWSA-N -1 0 418.424 -1.835 20 0 HAADRM CC(C)c1ccnc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001178231180 1071792578 /nfs/dbraw/zinc/79/25/78/1071792578.db2.gz FVAOKAITXWYALV-BTAUDXDXSA-N -1 0 420.440 -1.509 20 0 HAADRM CC(C)c1ccnc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001178231181 1071792535 /nfs/dbraw/zinc/79/25/35/1071792535.db2.gz FVAOKAITXWYALV-JPIRQXTESA-N -1 0 420.440 -1.509 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H](c1ccccn1)C1CC1 ZINC001178247650 1071792376 /nfs/dbraw/zinc/79/23/76/1071792376.db2.gz WJIHRUWINOKFAT-NVWMEEMDSA-N -1 0 418.424 -1.682 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H](c1ccccn1)C1CC1 ZINC001178247651 1071792420 /nfs/dbraw/zinc/79/24/20/1071792420.db2.gz WJIHRUWINOKFAT-RZTQCUEVSA-N -1 0 418.424 -1.682 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H](c1ccccn1)C1CC1 ZINC001178247652 1071792352 /nfs/dbraw/zinc/79/23/52/1071792352.db2.gz WJIHRUWINOKFAT-XFBSOKCSSA-N -1 0 418.424 -1.682 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H](c1ccccn1)C1CC1 ZINC001178247653 1071792447 /nfs/dbraw/zinc/79/24/47/1071792447.db2.gz WJIHRUWINOKFAT-YIXJMHAVSA-N -1 0 418.424 -1.682 20 0 HAADRM CC(C)(Cc1ccncc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001178256009 1071792585 /nfs/dbraw/zinc/79/25/85/1071792585.db2.gz ONNNFZVMOCIXJC-DHGKCCLASA-N -1 0 420.440 -1.607 20 0 HAADRM CC(C)(Cc1ccncc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001178256010 1071792482 /nfs/dbraw/zinc/79/24/82/1071792482.db2.gz ONNNFZVMOCIXJC-KSTCHIGDSA-N -1 0 420.440 -1.607 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(c2ncccn2)CC1 ZINC001178352218 1071792603 /nfs/dbraw/zinc/79/26/03/1071792603.db2.gz JKWSVBNONFHSLI-ILAIQSSSSA-N -1 0 405.385 -2.749 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(c2ncccn2)CC1 ZINC001178352219 1071792558 /nfs/dbraw/zinc/79/25/58/1071792558.db2.gz JKWSVBNONFHSLI-ISUQUUIWSA-N -1 0 405.385 -2.749 20 0 HAADRM COC(=O)[C@@H]1CN(C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)CCN1C(C)=O ZINC001178366612 1071792509 /nfs/dbraw/zinc/79/25/09/1071792509.db2.gz DKXINLICABNZNQ-AWEZNQCLSA-N -1 0 421.410 -1.341 20 0 HAADRM COC(=O)[C@H]1CN(C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)CCN1C(C)=O ZINC001178366613 1071792971 /nfs/dbraw/zinc/79/29/71/1071792971.db2.gz DKXINLICABNZNQ-CQSZACIVSA-N -1 0 421.410 -1.341 20 0 HAADRM CN1CCN(C2CN(C(=O)c3cc4n(n3)CCCN(CC(=O)[O-])C4=O)C2)CC1=O ZINC001178366742 1071792913 /nfs/dbraw/zinc/79/29/13/1071792913.db2.gz FOJLOEQJWPSESF-UHFFFAOYSA-N -1 0 404.427 -1.588 20 0 HAADRM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178367213 1071793006 /nfs/dbraw/zinc/79/30/06/1071793006.db2.gz MQDVJKNULNUSJQ-GFCCVEGCSA-N -1 0 421.410 -1.293 20 0 HAADRM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178367214 1071792931 /nfs/dbraw/zinc/79/29/31/1071792931.db2.gz MQDVJKNULNUSJQ-LBPRGKRZSA-N -1 0 421.410 -1.293 20 0 HAADRM O=C([O-])CN1CCCn2nc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2C1=O ZINC001178367381 1071792895 /nfs/dbraw/zinc/79/28/95/1071792895.db2.gz UDDTVMXYGZOFAG-UHFFFAOYSA-N -1 0 405.411 -1.065 20 0 HAADRM O=C([O-])CN1CCCn2nc(C(=O)N3CCC4(CC3)COCC(=O)N4)cc2C1=O ZINC001178367426 1071793056 /nfs/dbraw/zinc/79/30/56/1071793056.db2.gz BLOGRQSXJAIRDR-UHFFFAOYSA-N -1 0 405.411 -1.065 20 0 HAADRM O=C([O-])CN1CCCn2nc(C(=O)N3CCN(c4ncncn4)CC3)cc2C1=O ZINC001178367685 1071792962 /nfs/dbraw/zinc/79/29/62/1071792962.db2.gz ZCGOZDKALRMOEA-UHFFFAOYSA-N -1 0 400.399 -1.039 20 0 HAADRM O=C([O-])CN1CCCn2nc(C(=O)NCCOCCN3C(=O)C=CC3=O)cc2C1=O ZINC001178373943 1071792494 /nfs/dbraw/zinc/79/24/94/1071792494.db2.gz IQDCMCNYYISVQD-UHFFFAOYSA-N -1 0 419.394 -1.515 20 0 HAADRM CC(C)c1cccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001178453098 1071793042 /nfs/dbraw/zinc/79/30/42/1071793042.db2.gz ZBOUXAYHORRKHC-BTAUDXDXSA-N -1 0 420.440 -1.509 20 0 HAADRM CC(C)c1cccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001178453099 1071792904 /nfs/dbraw/zinc/79/29/04/1071792904.db2.gz ZBOUXAYHORRKHC-JPIRQXTESA-N -1 0 420.440 -1.509 20 0 HAADRM C[C@H]1[C@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C(=O)N1S(=O)(=O)[O-] ZINC001178501671 1071792899 /nfs/dbraw/zinc/79/28/99/1071792899.db2.gz OCRWOSXUOAPNOQ-CABZTGNLSA-N -1 0 420.444 -1.416 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1Cc2ccccc2C1 ZINC001178546302 1071793598 /nfs/dbraw/zinc/79/35/98/1071793598.db2.gz MLNLIZGEMGSLLV-PAURTPPISA-N -1 0 403.409 -1.855 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1Cc2ccccc2C1 ZINC001178546305 1071793541 /nfs/dbraw/zinc/79/35/41/1071793541.db2.gz MLNLIZGEMGSLLV-UTGUJQJDSA-N -1 0 403.409 -1.855 20 0 HAADRM CS(=O)(=O)N1CCC(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)CC1 ZINC001178761665 1071794621 /nfs/dbraw/zinc/79/46/21/1071794621.db2.gz IRTSCEAIOHRDOW-UHFFFAOYSA-N -1 0 410.434 -1.980 20 0 HAADRM CS(=O)(=O)N1CCC(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1 ZINC001178767834 1071794700 /nfs/dbraw/zinc/79/47/00/1071794700.db2.gz IUIHZJOTJGZZKA-ZDUSSCGKSA-N -1 0 415.472 -1.301 20 0 HAADRM O=C(CCN1CCOC1=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001178786138 1071794667 /nfs/dbraw/zinc/79/46/67/1071794667.db2.gz NDMAUANLTCUWLH-NENRSDFPSA-N -1 0 400.362 -3.428 20 0 HAADRM O=C(CCN1CCOC1=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001178786139 1071794755 /nfs/dbraw/zinc/79/47/55/1071794755.db2.gz NDMAUANLTCUWLH-QVDPWDGTSA-N -1 0 400.362 -3.428 20 0 HAADRM Cn1c2ccccc2n(CC(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c1=O ZINC001178788707 1071794646 /nfs/dbraw/zinc/79/46/46/1071794646.db2.gz XVZANTASLFAIFY-UHFFFAOYSA-N -1 0 409.384 -1.298 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1Cc2ccccc2O1 ZINC001178947110 1071795219 /nfs/dbraw/zinc/79/52/19/1071795219.db2.gz ZAGWMGAFGKWCHT-FSTWUICMSA-N -1 0 405.381 -2.267 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1Cc2ccccc2O1 ZINC001178947111 1071795274 /nfs/dbraw/zinc/79/52/74/1071795274.db2.gz ZAGWMGAFGKWCHT-QTPLKFIXSA-N -1 0 405.381 -2.267 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1Cc2ccccc2O1 ZINC001178947112 1071795281 /nfs/dbraw/zinc/79/52/81/1071795281.db2.gz ZAGWMGAFGKWCHT-RWXDJMAFSA-N -1 0 405.381 -2.267 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1Cc2ccccc2O1 ZINC001178947113 1071795185 /nfs/dbraw/zinc/79/51/85/1071795185.db2.gz ZAGWMGAFGKWCHT-UZFDSVHDSA-N -1 0 405.381 -2.267 20 0 HAADRM O=C(CCO)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001179571186 1071797670 /nfs/dbraw/zinc/79/76/70/1071797670.db2.gz BTNMGMIUPLVVFX-LEGDSPTNSA-N -1 0 401.272 -1.079 20 0 HAADRM O=C(CCO)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001179571187 1071797690 /nfs/dbraw/zinc/79/76/90/1071797690.db2.gz BTNMGMIUPLVVFX-NLXIFRQRSA-N -1 0 401.272 -1.079 20 0 HAADRM Cc1ccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1F ZINC001179941177 1071798614 /nfs/dbraw/zinc/79/86/14/1071798614.db2.gz NWZNWBFZQRWYSZ-DIAXPKBXSA-N -1 0 409.388 -1.580 20 0 HAADRM Cc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1F ZINC001179941178 1071798592 /nfs/dbraw/zinc/79/85/92/1071798592.db2.gz NWZNWBFZQRWYSZ-GZENYHORSA-N -1 0 409.388 -1.580 20 0 HAADRM CS(=O)(=O)c1cccc(CC(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001179999438 1071798609 /nfs/dbraw/zinc/79/86/09/1071798609.db2.gz VCAJPBOJVFPXJB-UHFFFAOYSA-N -1 0 417.425 -1.005 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CN1c2ccccc2C(=O)C1=O ZINC001180045629 1071799040 /nfs/dbraw/zinc/79/90/40/1071799040.db2.gz OYVAGUGSRFBDHV-UHFFFAOYSA-N -1 0 408.352 -1.422 20 0 HAADRM Cc1cccc(CCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001180168471 1071799123 /nfs/dbraw/zinc/79/91/23/1071799123.db2.gz HHDNWFXTFFYZNL-BTAUDXDXSA-N -1 0 405.425 -1.329 20 0 HAADRM Cc1cccc(CCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001180168476 1071799194 /nfs/dbraw/zinc/79/91/94/1071799194.db2.gz HHDNWFXTFFYZNL-JPIRQXTESA-N -1 0 405.425 -1.329 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180263637 1071799667 /nfs/dbraw/zinc/79/96/67/1071799667.db2.gz OWISHXPQHIDWQD-UHFFFAOYSA-N -1 0 417.404 -2.523 20 0 HAADRM O=C(CCC(=O)N1CCNC(=O)CC1)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001180273318 1071800116 /nfs/dbraw/zinc/80/01/16/1071800116.db2.gz VBJOGTXHIZGWNQ-ZDUSSCGKSA-N -1 0 422.442 -1.843 20 0 HAADRM O=C(CN1CCc2ccccc21)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001180290676 1071800470 /nfs/dbraw/zinc/80/04/70/1071800470.db2.gz NLHMPYNKUSYHPY-BTAUDXDXSA-N -1 0 418.424 -2.208 20 0 HAADRM O=C(CN1CCc2ccccc21)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001180290677 1071800506 /nfs/dbraw/zinc/80/05/06/1071800506.db2.gz NLHMPYNKUSYHPY-JPIRQXTESA-N -1 0 418.424 -2.208 20 0 HAADRM O=C(Cn1nc2ccccc2n1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001180300178 1071800094 /nfs/dbraw/zinc/80/00/94/1071800094.db2.gz GLCJPSWQKFJASQ-DKTYCGPESA-N -1 0 418.384 -2.826 20 0 HAADRM O=C(Cn1nc2ccccc2n1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001180300179 1071800453 /nfs/dbraw/zinc/80/04/53/1071800453.db2.gz GLCJPSWQKFJASQ-FZGMBXNASA-N -1 0 418.384 -2.826 20 0 HAADRM Cc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1C ZINC001180464938 1071802202 /nfs/dbraw/zinc/80/22/02/1071802202.db2.gz XMRSBDQQQBNPTK-BTAUDXDXSA-N -1 0 405.425 -1.411 20 0 HAADRM Cc1ccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1C ZINC001180464939 1071802357 /nfs/dbraw/zinc/80/23/57/1071802357.db2.gz XMRSBDQQQBNPTK-JPIRQXTESA-N -1 0 405.425 -1.411 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(C(F)(F)F)CCCC1 ZINC001180481415 1071802150 /nfs/dbraw/zinc/80/21/50/1071802150.db2.gz MZUZHNSRNIWMKT-IGORNWKESA-N -1 0 423.362 -1.148 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(C(F)(F)F)CCCC1 ZINC001180481416 1071802048 /nfs/dbraw/zinc/80/20/48/1071802048.db2.gz MZUZHNSRNIWMKT-VVULQXIFSA-N -1 0 423.362 -1.148 20 0 HAADRM Cc1cccc(OCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1C ZINC001180502870 1071803174 /nfs/dbraw/zinc/80/31/74/1071803174.db2.gz QWTMOAXDQIWFCB-BTAUDXDXSA-N -1 0 421.424 -1.575 20 0 HAADRM Cc1cccc(OCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1C ZINC001180502872 1071802670 /nfs/dbraw/zinc/80/26/70/1071802670.db2.gz QWTMOAXDQIWFCB-JPIRQXTESA-N -1 0 421.424 -1.575 20 0 HAADRM CCc1ccc(OCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001180518414 1071802388 /nfs/dbraw/zinc/80/23/88/1071802388.db2.gz CXVONOAIUVAHPU-BTAUDXDXSA-N -1 0 421.424 -1.629 20 0 HAADRM CCc1ccc(OCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001180518415 1071802250 /nfs/dbraw/zinc/80/22/50/1071802250.db2.gz CXVONOAIUVAHPU-JPIRQXTESA-N -1 0 421.424 -1.629 20 0 HAADRM Cc1ccccc1O[C@H](C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001180527755 1071802225 /nfs/dbraw/zinc/80/22/25/1071802225.db2.gz RNCPNKPWYDRMRG-DMZZRIDQSA-N -1 0 421.424 -1.494 20 0 HAADRM Cc1ccccc1O[C@H](C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001180527756 1071802128 /nfs/dbraw/zinc/80/21/28/1071802128.db2.gz RNCPNKPWYDRMRG-NRZSLBKQSA-N -1 0 421.424 -1.494 20 0 HAADRM Cc1ccccc1O[C@@H](C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001180527758 1071802403 /nfs/dbraw/zinc/80/24/03/1071802403.db2.gz RNCPNKPWYDRMRG-UYDMJJIKSA-N -1 0 421.424 -1.494 20 0 HAADRM Cc1ccccc1O[C@@H](C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001180527760 1071802275 /nfs/dbraw/zinc/80/22/75/1071802275.db2.gz RNCPNKPWYDRMRG-XOIZJIEVSA-N -1 0 421.424 -1.494 20 0 HAADRM COc1ccccc1/C=C/C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001180532006 1071802425 /nfs/dbraw/zinc/80/24/25/1071802425.db2.gz PXYLCQOWLRIJMR-QARSFKSDSA-N -1 0 419.408 -1.548 20 0 HAADRM COc1ccccc1/C=C/C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001180532008 1071802029 /nfs/dbraw/zinc/80/20/29/1071802029.db2.gz PXYLCQOWLRIJMR-ZATAKSAWSA-N -1 0 419.408 -1.548 20 0 HAADRM Cc1cc(C)cc(OCC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001180543825 1071803095 /nfs/dbraw/zinc/80/30/95/1071803095.db2.gz PRCSRGQQBFONNQ-BTAUDXDXSA-N -1 0 421.424 -1.575 20 0 HAADRM Cc1cc(C)cc(OCC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001180543826 1071802757 /nfs/dbraw/zinc/80/27/57/1071802757.db2.gz PRCSRGQQBFONNQ-JPIRQXTESA-N -1 0 421.424 -1.575 20 0 HAADRM CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC001180595590 1071804224 /nfs/dbraw/zinc/80/42/24/1071804224.db2.gz LYKLSOGBHHQSQJ-UHFFFAOYSA-N -1 0 403.482 -1.026 20 0 HAADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001180598581 1071804083 /nfs/dbraw/zinc/80/40/83/1071804083.db2.gz LFPJDNSIKGLEGU-LBPRGKRZSA-N -1 0 401.445 -2.242 20 0 HAADRM CC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001180686616 1071804847 /nfs/dbraw/zinc/80/48/47/1071804847.db2.gz VJINNHVIFPUZBP-DZXXBYIOSA-N -1 0 412.417 -3.012 20 0 HAADRM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001180686619 1071804865 /nfs/dbraw/zinc/80/48/65/1071804865.db2.gz VJINNHVIFPUZBP-HXZMXFDXSA-N -1 0 412.417 -3.012 20 0 HAADRM CC(=O)N1CCC[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001180686621 1071804988 /nfs/dbraw/zinc/80/49/88/1071804988.db2.gz VJINNHVIFPUZBP-KXEMTNKZSA-N -1 0 412.417 -3.012 20 0 HAADRM CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001180686624 1071804882 /nfs/dbraw/zinc/80/48/82/1071804882.db2.gz VJINNHVIFPUZBP-MDVDOTDZSA-N -1 0 412.417 -3.012 20 0 HAADRM COC[C@H](NC(=O)OC(C)(C)C)C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001180785441 1071805433 /nfs/dbraw/zinc/80/54/33/1071805433.db2.gz PBZUOWGMIAUHTR-LURJTMIESA-N -1 0 422.420 -1.112 20 0 HAADRM COc1ccc(C(=O)NCC(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1 ZINC001180807142 1071805750 /nfs/dbraw/zinc/80/57/50/1071805750.db2.gz YZNGEPAMJIKWHA-UHFFFAOYSA-N -1 0 412.384 -1.213 20 0 HAADRM CN(CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccc1 ZINC001180947763 1071806205 /nfs/dbraw/zinc/80/62/05/1071806205.db2.gz JBGFPGXKDHGBPK-DIAXPKBXSA-N -1 0 406.413 -2.134 20 0 HAADRM CN(CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccc1 ZINC001180947764 1071806022 /nfs/dbraw/zinc/80/60/22/1071806022.db2.gz JBGFPGXKDHGBPK-GZENYHORSA-N -1 0 406.413 -2.134 20 0 HAADRM O=C(CCc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001180968975 1071805997 /nfs/dbraw/zinc/80/59/97/1071805997.db2.gz LLSLLYAGCBQBKT-PAURTPPISA-N -1 0 419.408 -2.069 20 0 HAADRM O=C(CCc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001180968976 1071806196 /nfs/dbraw/zinc/80/61/96/1071806196.db2.gz LLSLLYAGCBQBKT-UTGUJQJDSA-N -1 0 419.408 -2.069 20 0 HAADRM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181045055 1071806598 /nfs/dbraw/zinc/80/65/98/1071806598.db2.gz IEGBTGFJQOUEMD-CIUDSAMLSA-N -1 0 409.417 -1.039 20 0 HAADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181045056 1071806528 /nfs/dbraw/zinc/80/65/28/1071806528.db2.gz IEGBTGFJQOUEMD-XHNCKOQMSA-N -1 0 409.417 -1.039 20 0 HAADRM CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181058443 1071806826 /nfs/dbraw/zinc/80/68/26/1071806826.db2.gz JPYHVXOUODYJJS-IGORNWKESA-N -1 0 401.390 -2.681 20 0 HAADRM CCOC(=O)C(C)(C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181058444 1071806671 /nfs/dbraw/zinc/80/66/71/1071806671.db2.gz JPYHVXOUODYJJS-VVULQXIFSA-N -1 0 401.390 -2.681 20 0 HAADRM O=C(Cc1cc2ccccc2o1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181105059 1071806752 /nfs/dbraw/zinc/80/67/52/1071806752.db2.gz OAMGUSSEYIKTKO-BTAUDXDXSA-N -1 0 417.392 -1.282 20 0 HAADRM O=C(Cc1cc2ccccc2o1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181105080 1071806473 /nfs/dbraw/zinc/80/64/73/1071806473.db2.gz OAMGUSSEYIKTKO-JPIRQXTESA-N -1 0 417.392 -1.282 20 0 HAADRM O=C(Cc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181381973 1071807915 /nfs/dbraw/zinc/80/79/15/1071807915.db2.gz PFBWLVYNOCJMIT-FTQJZPFOSA-N -1 0 405.381 -2.459 20 0 HAADRM O=C(Cc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181381995 1071808018 /nfs/dbraw/zinc/80/80/18/1071808018.db2.gz PFBWLVYNOCJMIT-HVNMYJMUSA-N -1 0 405.381 -2.459 20 0 HAADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181418287 1071807998 /nfs/dbraw/zinc/80/79/98/1071807998.db2.gz QXVWKQKFGVJHKT-XKNYDFJKSA-N -1 0 422.460 -1.077 20 0 HAADRM O=C(CC1CCC(F)(F)CC1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181435936 1071807887 /nfs/dbraw/zinc/80/78/87/1071807887.db2.gz TZFPDMKJFUPDCG-JOLIMNQDSA-N -1 0 419.399 -1.055 20 0 HAADRM O=C(CC1CCC(F)(F)CC1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181435938 1071807928 /nfs/dbraw/zinc/80/79/28/1071807928.db2.gz TZFPDMKJFUPDCG-WECGXBHGSA-N -1 0 419.399 -1.055 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181462685 1071807969 /nfs/dbraw/zinc/80/79/69/1071807969.db2.gz MVRISCODAVYCJH-ABJPZGOMSA-N -1 0 403.409 -1.467 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181462687 1071807745 /nfs/dbraw/zinc/80/77/45/1071807745.db2.gz MVRISCODAVYCJH-XBELCUABSA-N -1 0 403.409 -1.467 20 0 HAADRM CC(C)(C)OC(=O)NC1(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)COC1 ZINC001181516224 1071808521 /nfs/dbraw/zinc/80/85/21/1071808521.db2.gz ZDZZIMQUJXFOTK-UHFFFAOYSA-N -1 0 420.404 -1.358 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1(c2ccccc2)COC1 ZINC001181560565 1071808734 /nfs/dbraw/zinc/80/87/34/1071808734.db2.gz GCXGVHMGPDZALI-DHGKCCLASA-N -1 0 419.408 -2.302 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1(c2ccccc2)COC1 ZINC001181560566 1071808599 /nfs/dbraw/zinc/80/85/99/1071808599.db2.gz GCXGVHMGPDZALI-KSTCHIGDSA-N -1 0 419.408 -2.302 20 0 HAADRM Cc1cc(F)cc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001181650107 1071809123 /nfs/dbraw/zinc/80/91/23/1071809123.db2.gz RKEAMEMJWVNNJJ-DIAXPKBXSA-N -1 0 409.388 -1.580 20 0 HAADRM Cc1cc(F)cc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001181650108 1071809302 /nfs/dbraw/zinc/80/93/02/1071809302.db2.gz RKEAMEMJWVNNJJ-GZENYHORSA-N -1 0 409.388 -1.580 20 0 HAADRM Cc1c(F)cccc1CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181709701 1071809217 /nfs/dbraw/zinc/80/92/17/1071809217.db2.gz UNLRHNVIANQWLY-DIAXPKBXSA-N -1 0 409.388 -1.580 20 0 HAADRM Cc1c(F)cccc1CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181709703 1071809280 /nfs/dbraw/zinc/80/92/80/1071809280.db2.gz UNLRHNVIANQWLY-GZENYHORSA-N -1 0 409.388 -1.580 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1CCc2ccccc21 ZINC001181762872 1071809370 /nfs/dbraw/zinc/80/93/70/1071809370.db2.gz DBAFHYPDBYDSBR-RYQQKAPKSA-N -1 0 403.409 -1.540 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1CCc2ccccc21 ZINC001181762873 1071809433 /nfs/dbraw/zinc/80/94/33/1071809433.db2.gz DBAFHYPDBYDSBR-SFEJEDPTSA-N -1 0 403.409 -1.540 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1CCc2ccccc21 ZINC001181762875 1071809076 /nfs/dbraw/zinc/80/90/76/1071809076.db2.gz DBAFHYPDBYDSBR-XFBSOKCSSA-N -1 0 403.409 -1.540 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1CCc2ccccc21 ZINC001181762876 1071809250 /nfs/dbraw/zinc/80/92/50/1071809250.db2.gz DBAFHYPDBYDSBR-YIXJMHAVSA-N -1 0 403.409 -1.540 20 0 HAADRM CCOC(CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)OCC ZINC001181796208 1071809975 /nfs/dbraw/zinc/80/99/75/1071809975.db2.gz GPBWKWPUJJRJDF-ATZJWGMQSA-N -1 0 403.406 -2.481 20 0 HAADRM CCOC(CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)OCC ZINC001181796222 1071809998 /nfs/dbraw/zinc/80/99/98/1071809998.db2.gz GPBWKWPUJJRJDF-LDBGNUQFSA-N -1 0 403.406 -2.481 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1COc2ccccc2O1 ZINC001181901964 1071810496 /nfs/dbraw/zinc/81/04/96/1071810496.db2.gz MEUBKGBNIVHSFZ-AOWZIMASSA-N -1 0 421.380 -2.430 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1COc2ccccc2O1 ZINC001181901965 1071810890 /nfs/dbraw/zinc/81/08/90/1071810890.db2.gz MEUBKGBNIVHSFZ-IMNVLQEYSA-N -1 0 421.380 -2.430 20 0 HAADRM C[C@@]1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1(Cl)Cl ZINC001182143619 1071812053 /nfs/dbraw/zinc/81/20/53/1071812053.db2.gz POLSAELWXFODNG-DJYFBOTKSA-N -1 0 410.228 -1.687 20 0 HAADRM C[C@]1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1(Cl)Cl ZINC001182143620 1071811878 /nfs/dbraw/zinc/81/18/78/1071811878.db2.gz POLSAELWXFODNG-LNSOWFDVSA-N -1 0 410.228 -1.687 20 0 HAADRM C[C@]1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1(Cl)Cl ZINC001182143622 1071811954 /nfs/dbraw/zinc/81/19/54/1071811954.db2.gz POLSAELWXFODNG-MXGCPANSSA-N -1 0 410.228 -1.687 20 0 HAADRM C[C@@]1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1(Cl)Cl ZINC001182143624 1071811860 /nfs/dbraw/zinc/81/18/60/1071811860.db2.gz POLSAELWXFODNG-NJZVZMLASA-N -1 0 410.228 -1.687 20 0 HAADRM COCc1ccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001182198597 1071812399 /nfs/dbraw/zinc/81/23/99/1071812399.db2.gz GPACNOYVAHDLNH-BTAUDXDXSA-N -1 0 421.424 -1.881 20 0 HAADRM COCc1ccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001182198598 1071812602 /nfs/dbraw/zinc/81/26/02/1071812602.db2.gz GPACNOYVAHDLNH-JPIRQXTESA-N -1 0 421.424 -1.881 20 0 HAADRM CCCCOCCOCC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182213259 1071812456 /nfs/dbraw/zinc/81/24/56/1071812456.db2.gz CDEWYGGEMGLPJY-DKTYCGPESA-N -1 0 417.433 -2.437 20 0 HAADRM CCCCOCCOCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182213265 1071812644 /nfs/dbraw/zinc/81/26/44/1071812644.db2.gz CDEWYGGEMGLPJY-FZGMBXNASA-N -1 0 417.433 -2.437 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[C@H]1c1ccccc1F ZINC001182293756 1071812471 /nfs/dbraw/zinc/81/24/71/1071812471.db2.gz ZUJGKPZFYXPNAD-AKWARWBXSA-N -1 0 421.399 -1.328 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C[C@@H]1c1ccccc1F ZINC001182293762 1071812617 /nfs/dbraw/zinc/81/26/17/1071812617.db2.gz ZUJGKPZFYXPNAD-IMKQQWHFSA-N -1 0 421.399 -1.328 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C[C@@H]1c1ccccc1F ZINC001182293764 1071812450 /nfs/dbraw/zinc/81/24/50/1071812450.db2.gz ZUJGKPZFYXPNAD-MZGKCZGUSA-N -1 0 421.399 -1.328 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C[C@H]1c1ccccc1F ZINC001182293766 1071812418 /nfs/dbraw/zinc/81/24/18/1071812418.db2.gz ZUJGKPZFYXPNAD-PGRNUKGRSA-N -1 0 421.399 -1.328 20 0 HAADRM COc1cc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccc1C ZINC001182307793 1071812516 /nfs/dbraw/zinc/81/25/16/1071812516.db2.gz ZWFJOUHCHNKZSP-BTAUDXDXSA-N -1 0 421.424 -1.711 20 0 HAADRM COc1cc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccc1C ZINC001182307794 1071812576 /nfs/dbraw/zinc/81/25/76/1071812576.db2.gz ZWFJOUHCHNKZSP-JPIRQXTESA-N -1 0 421.424 -1.711 20 0 HAADRM COCC1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CCOCC1 ZINC001182436746 1071813589 /nfs/dbraw/zinc/81/35/89/1071813589.db2.gz RHNFMWSAZWYJIX-LZQZFOIKSA-N -1 0 415.417 -2.827 20 0 HAADRM COCC1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CCOCC1 ZINC001182436751 1071813638 /nfs/dbraw/zinc/81/36/38/1071813638.db2.gz RHNFMWSAZWYJIX-OOCWMUITSA-N -1 0 415.417 -2.827 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182463018 1071814360 /nfs/dbraw/zinc/81/43/60/1071814360.db2.gz ZLTFVXCTJAGPIV-BJZYWMRJSA-N -1 0 424.428 -3.012 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182463019 1071814302 /nfs/dbraw/zinc/81/43/02/1071814302.db2.gz ZLTFVXCTJAGPIV-BTIXGSHYSA-N -1 0 424.428 -3.012 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182463020 1071814282 /nfs/dbraw/zinc/81/42/82/1071814282.db2.gz ZLTFVXCTJAGPIV-FHNLJXIHSA-N -1 0 424.428 -3.012 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182463021 1071814407 /nfs/dbraw/zinc/81/44/07/1071814407.db2.gz ZLTFVXCTJAGPIV-PVWICWHUSA-N -1 0 424.428 -3.012 20 0 HAADRM COC1(OC)CC(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001182475393 1071814250 /nfs/dbraw/zinc/81/42/50/1071814250.db2.gz FRMCHBCVEJJCCK-CDPPZIPSSA-N -1 0 401.390 -2.871 20 0 HAADRM COC1(OC)CC(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001182475394 1071814350 /nfs/dbraw/zinc/81/43/50/1071814350.db2.gz FRMCHBCVEJJCCK-SANCVJEGSA-N -1 0 401.390 -2.871 20 0 HAADRM O=C(Cc1occ2ccccc21)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182505899 1071815045 /nfs/dbraw/zinc/81/50/45/1071815045.db2.gz MIPFMIVCPDOPHT-BTAUDXDXSA-N -1 0 417.392 -1.282 20 0 HAADRM O=C(Cc1occ2ccccc21)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182505900 1071814934 /nfs/dbraw/zinc/81/49/34/1071814934.db2.gz MIPFMIVCPDOPHT-JPIRQXTESA-N -1 0 417.392 -1.282 20 0 HAADRM COC(=O)C(C)(C)CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182536824 1071814777 /nfs/dbraw/zinc/81/47/77/1071814777.db2.gz ITXBRYAWAINXRA-NENRSDFPSA-N -1 0 401.390 -2.681 20 0 HAADRM COC(=O)C(C)(C)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182536830 1071814982 /nfs/dbraw/zinc/81/49/82/1071814982.db2.gz ITXBRYAWAINXRA-QVDPWDGTSA-N -1 0 401.390 -2.681 20 0 HAADRM N[C@@H]1NCN(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)[C@@H]2NCN[C@H]21 ZINC001182551592 1071814966 /nfs/dbraw/zinc/81/49/66/1071814966.db2.gz KSHFYJAYVMMIQI-MHEUCROKSA-N -1 0 406.468 -1.521 20 0 HAADRM N[C@@H]1NCN(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)[C@@H]2NCN[C@@H]21 ZINC001182551595 1071815013 /nfs/dbraw/zinc/81/50/13/1071815013.db2.gz KSHFYJAYVMMIQI-MYPMTAMASA-N -1 0 406.468 -1.521 20 0 HAADRM N[C@@H]1NCN(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)[C@H]2NCN[C@H]21 ZINC001182551597 1071814991 /nfs/dbraw/zinc/81/49/91/1071814991.db2.gz KSHFYJAYVMMIQI-SPWCGHHHSA-N -1 0 406.468 -1.521 20 0 HAADRM N[C@@H]1NCN(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)[C@H]2NCN[C@@H]21 ZINC001182551599 1071815006 /nfs/dbraw/zinc/81/50/06/1071815006.db2.gz KSHFYJAYVMMIQI-ZGKBOVNRSA-N -1 0 406.468 -1.521 20 0 HAADRM CC(C)(Cc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182606362 1071814810 /nfs/dbraw/zinc/81/48/10/1071814810.db2.gz FQJLWWPQZMMPHL-KJWHEZOQSA-N -1 0 419.452 -1.002 20 0 HAADRM CC(C)(Cc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182606363 1071815055 /nfs/dbraw/zinc/81/50/55/1071815055.db2.gz FQJLWWPQZMMPHL-RYPNDVFKSA-N -1 0 419.452 -1.002 20 0 HAADRM COC(=O)CC(C)(C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182612714 1071814789 /nfs/dbraw/zinc/81/47/89/1071814789.db2.gz PYGFYRPRSCVKDD-NENRSDFPSA-N -1 0 401.390 -2.681 20 0 HAADRM COC(=O)CC(C)(C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182612715 1071815691 /nfs/dbraw/zinc/81/56/91/1071815691.db2.gz PYGFYRPRSCVKDD-QVDPWDGTSA-N -1 0 401.390 -2.681 20 0 HAADRM O=C(Cc1ccc2c(c1)OCC2)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182653571 1071815658 /nfs/dbraw/zinc/81/56/58/1071815658.db2.gz PBONKDKKGDDGAV-BTAUDXDXSA-N -1 0 419.408 -2.093 20 0 HAADRM O=C(Cc1ccc2c(c1)OCC2)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182653572 1071815686 /nfs/dbraw/zinc/81/56/86/1071815686.db2.gz PBONKDKKGDDGAV-JPIRQXTESA-N -1 0 419.408 -2.093 20 0 HAADRM O=C(Cc1cn2cccnc2n1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182750415 1071815495 /nfs/dbraw/zinc/81/54/95/1071815495.db2.gz GWPSRJSVTAIPDN-JOLIMNQDSA-N -1 0 418.384 -2.985 20 0 HAADRM O=C(Cc1cn2cccnc2n1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182750431 1071815519 /nfs/dbraw/zinc/81/55/19/1071815519.db2.gz GWPSRJSVTAIPDN-WECGXBHGSA-N -1 0 418.384 -2.985 20 0 HAADRM O=C(Cc1cnc2ccccn12)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182840003 1071816311 /nfs/dbraw/zinc/81/63/11/1071816311.db2.gz DPQULJATRNMLAN-WMESBKTJSA-N -1 0 417.396 -2.380 20 0 HAADRM O=C(Cc1cnc2ccccn12)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182840004 1071816236 /nfs/dbraw/zinc/81/62/36/1071816236.db2.gz DPQULJATRNMLAN-YGARTUKASA-N -1 0 417.396 -2.380 20 0 HAADRM CN(CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)S(C)(=O)=O ZINC001182884075 1071817031 /nfs/dbraw/zinc/81/70/31/1071817031.db2.gz XHCYZMGYEGCXPC-GRUVDUQJSA-N -1 0 408.407 -4.379 20 0 HAADRM CN(CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)S(C)(=O)=O ZINC001182884076 1071817039 /nfs/dbraw/zinc/81/70/39/1071817039.db2.gz XHCYZMGYEGCXPC-QXOHVQIXSA-N -1 0 408.407 -4.379 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cn1c(=O)cnc2ccccc21 ZINC001182943152 1071816942 /nfs/dbraw/zinc/81/69/42/1071816942.db2.gz KWTXSAKJPAAWIU-UHFFFAOYSA-N -1 0 407.368 -1.241 20 0 HAADRM CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001182946460 1071816954 /nfs/dbraw/zinc/81/69/54/1071816954.db2.gz QVSGFXYYZWKWIX-LURJTMIESA-N -1 0 422.420 -1.423 20 0 HAADRM CS(=O)(=O)N1CC(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001183026644 1071818146 /nfs/dbraw/zinc/81/81/46/1071818146.db2.gz SCFKCSOLSUFLQL-UEWQFTGXSA-N -1 0 420.418 -4.379 20 0 HAADRM CS(=O)(=O)N1CC(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001183026645 1071818118 /nfs/dbraw/zinc/81/81/18/1071818118.db2.gz SCFKCSOLSUFLQL-VCMDJLOCSA-N -1 0 420.418 -4.379 20 0 HAADRM O=C(CCOCc1ccccc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001183095697 1071818789 /nfs/dbraw/zinc/81/87/89/1071818789.db2.gz YLYOIRSDAVQTMP-BTAUDXDXSA-N -1 0 421.424 -1.664 20 0 HAADRM O=C(CCOCc1ccccc1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001183095701 1071819013 /nfs/dbraw/zinc/81/90/13/1071819013.db2.gz YLYOIRSDAVQTMP-JPIRQXTESA-N -1 0 421.424 -1.664 20 0 HAADRM CC(=O)SC[C@@H](C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001183136608 1071819503 /nfs/dbraw/zinc/81/95/03/1071819503.db2.gz KTZSFZLNXODTEK-IAWJOKRUSA-N -1 0 403.431 -2.355 20 0 HAADRM CC(=O)SC[C@@H](C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001183136612 1071819565 /nfs/dbraw/zinc/81/95/65/1071819565.db2.gz KTZSFZLNXODTEK-PKKPQKKZSA-N -1 0 403.431 -2.355 20 0 HAADRM CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001183141261 1071818765 /nfs/dbraw/zinc/81/87/65/1071818765.db2.gz FCJPRRINGRCQJA-AGNBLMTLSA-N -1 0 416.430 -3.349 20 0 HAADRM CC(=O)N1CSC[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001183141262 1071818986 /nfs/dbraw/zinc/81/89/86/1071818986.db2.gz FCJPRRINGRCQJA-MIDKXNQYSA-N -1 0 416.430 -3.349 20 0 HAADRM CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2CO[N-]C2=O)c2ccccc2)C(=O)C1=O ZINC001183155367 1071819661 /nfs/dbraw/zinc/81/96/61/1071819661.db2.gz FVVGVSSGKFEMOP-CHWSQXEVSA-N -1 0 403.395 -1.326 20 0 HAADRM CCN1CCN(C(=O)N[C@@H](C(=O)NCc2nnn[n-]2)c2ccccc2)C(=O)C1=O ZINC001183156920 1071819479 /nfs/dbraw/zinc/81/94/79/1071819479.db2.gz XFGBCEBPDQABJU-CYBMUJFWSA-N -1 0 400.399 -1.043 20 0 HAADRM CC(C)C1OCC(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CO1 ZINC001183179278 1071819573 /nfs/dbraw/zinc/81/95/73/1071819573.db2.gz OHTTUVARTZCHCJ-ASCFLWEESA-N -1 0 415.417 -2.625 20 0 HAADRM CC(C)C1OCC(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CO1 ZINC001183179279 1071819653 /nfs/dbraw/zinc/81/96/53/1071819653.db2.gz OHTTUVARTZCHCJ-URTFPWLFSA-N -1 0 415.417 -2.625 20 0 HAADRM Cc1cccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1C ZINC001183262566 1071819635 /nfs/dbraw/zinc/81/96/35/1071819635.db2.gz SWHNFCALNWNKEB-BTAUDXDXSA-N -1 0 405.425 -1.411 20 0 HAADRM Cc1cccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1C ZINC001183262571 1071820173 /nfs/dbraw/zinc/82/01/73/1071820173.db2.gz SWHNFCALNWNKEB-JPIRQXTESA-N -1 0 405.425 -1.411 20 0 HAADRM COc1ccc(C(=O)C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001183376891 1071820087 /nfs/dbraw/zinc/82/00/87/1071820087.db2.gz PKAKAKHRPOPIEZ-WHLPLNIVSA-N -1 0 421.380 -2.379 20 0 HAADRM COc1ccc(C(=O)C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001183376892 1071820116 /nfs/dbraw/zinc/82/01/16/1071820116.db2.gz PKAKAKHRPOPIEZ-ZUJPDMLGSA-N -1 0 421.380 -2.379 20 0 HAADRM C[C@H](OCc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001183496776 1071820873 /nfs/dbraw/zinc/82/08/73/1071820873.db2.gz NDHCJXYFLVQWEG-UYDMJJIKSA-N -1 0 421.424 -1.665 20 0 HAADRM C[C@H](OCc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001183496777 1071821017 /nfs/dbraw/zinc/82/10/17/1071821017.db2.gz NDHCJXYFLVQWEG-XOIZJIEVSA-N -1 0 421.424 -1.665 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@H]1C=CN=C2N=CC=C21 ZINC001183593442 1071821509 /nfs/dbraw/zinc/82/15/09/1071821509.db2.gz PUZSZZJMPQEJCH-DLWUKCBXSA-N -1 0 403.369 -2.718 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@H]1C=CN=C2N=CC=C21 ZINC001183593443 1071821498 /nfs/dbraw/zinc/82/14/98/1071821498.db2.gz PUZSZZJMPQEJCH-DYGUYAMTSA-N -1 0 403.369 -2.718 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)[C@@H]1C=CN=C2N=CC=C21 ZINC001183593444 1071821508 /nfs/dbraw/zinc/82/15/08/1071821508.db2.gz PUZSZZJMPQEJCH-GRMHZOCWSA-N -1 0 403.369 -2.718 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)[C@@H]1C=CN=C2N=CC=C21 ZINC001183593445 1071821522 /nfs/dbraw/zinc/82/15/22/1071821522.db2.gz PUZSZZJMPQEJCH-IYRBWVPOSA-N -1 0 403.369 -2.718 20 0 HAADRM CC[C@H]1CCN(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1=O ZINC001183670717 1071821503 /nfs/dbraw/zinc/82/15/03/1071821503.db2.gz CHWCJHXXTXBHEB-KLKPRGAGSA-N -1 0 412.417 -3.012 20 0 HAADRM CC[C@@H]1CCN(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1=O ZINC001183670723 1071821638 /nfs/dbraw/zinc/82/16/38/1071821638.db2.gz CHWCJHXXTXBHEB-SIGJANPLSA-N -1 0 412.417 -3.012 20 0 HAADRM CC[C@H]1CCN(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1=O ZINC001183670726 1071822266 /nfs/dbraw/zinc/82/22/66/1071822266.db2.gz CHWCJHXXTXBHEB-UNJYRZTGSA-N -1 0 412.417 -3.012 20 0 HAADRM CC[C@@H]1CCN(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1=O ZINC001183670728 1071822159 /nfs/dbraw/zinc/82/21/59/1071822159.db2.gz CHWCJHXXTXBHEB-XHIBXCGHSA-N -1 0 412.417 -3.012 20 0 HAADRM Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H]2CO[N-]C2=O)cc1 ZINC001183775530 1071825075 /nfs/dbraw/zinc/82/50/75/1071825075.db2.gz CUAZJPHQYCVMMS-KGLIPLIRSA-N -1 0 410.452 -1.189 20 0 HAADRM C[C@@H]1O[C@@H](OCCNC(=O)COc2ccc(OCC(=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183912512 1071825704 /nfs/dbraw/zinc/82/57/04/1071825704.db2.gz FRASSYLLSIHDJT-RLODPRPVSA-N -1 0 415.395 -1.511 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1=Cc2ccccc2C1 ZINC001183979006 1071825401 /nfs/dbraw/zinc/82/54/01/1071825401.db2.gz BMEKDIOENAAFPM-PAURTPPISA-N -1 0 401.393 -1.631 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1=Cc2ccccc2C1 ZINC001183979007 1071825605 /nfs/dbraw/zinc/82/56/05/1071825605.db2.gz BMEKDIOENAAFPM-UTGUJQJDSA-N -1 0 401.393 -1.631 20 0 HAADRM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001184176272 1071827615 /nfs/dbraw/zinc/82/76/15/1071827615.db2.gz FRZFFFHXQNBVDM-LURJTMIESA-N -1 0 422.420 -1.112 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1CC2(C1)CC(F)(F)C2 ZINC001184205054 1071827599 /nfs/dbraw/zinc/82/75/99/1071827599.db2.gz QNNARRINCALEQD-CDPPZIPSSA-N -1 0 417.383 -1.445 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1CC2(C1)CC(F)(F)C2 ZINC001184205058 1071827703 /nfs/dbraw/zinc/82/77/03/1071827703.db2.gz QNNARRINCALEQD-SANCVJEGSA-N -1 0 417.383 -1.445 20 0 HAADRM COc1cc(CC(=O)C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1O ZINC001184249017 1071827683 /nfs/dbraw/zinc/82/76/83/1071827683.db2.gz USGAIVBFIWKLTE-UHFFFAOYSA-N -1 0 413.368 -1.125 20 0 HAADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001184421365 1071828952 /nfs/dbraw/zinc/82/89/52/1071828952.db2.gz JZETVPQTYRJKIT-VVHPZPEWSA-N -1 0 413.408 -1.747 20 0 HAADRM CC1(C)OCC(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CO1 ZINC001184459537 1071828914 /nfs/dbraw/zinc/82/89/14/1071828914.db2.gz JPSQBDCAGFNWLP-CDPPZIPSSA-N -1 0 401.390 -2.871 20 0 HAADRM CC1(C)OCC(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CO1 ZINC001184459538 1071828854 /nfs/dbraw/zinc/82/88/54/1071828854.db2.gz JPSQBDCAGFNWLP-SANCVJEGSA-N -1 0 401.390 -2.871 20 0 HAADRM CN(C)c1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001184540648 1071829044 /nfs/dbraw/zinc/82/90/44/1071829044.db2.gz DVHJJHFORWDZMB-MNNAQAQOSA-N -1 0 407.401 -2.496 20 0 HAADRM CN(C)c1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001184540656 1071829128 /nfs/dbraw/zinc/82/91/28/1071829128.db2.gz DVHJJHFORWDZMB-PDOXLSOOSA-N -1 0 407.401 -2.496 20 0 HAADRM CC(C)(C)c1ccnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001184569146 1071828929 /nfs/dbraw/zinc/82/89/29/1071828929.db2.gz NEWHAQMPJSGZKO-FTQJZPFOSA-N -1 0 420.440 -1.264 20 0 HAADRM CC(C)(C)c1ccnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001184569156 1071829068 /nfs/dbraw/zinc/82/90/68/1071829068.db2.gz NEWHAQMPJSGZKO-HVNMYJMUSA-N -1 0 420.440 -1.264 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1=NOC2(C1)CCCCC2 ZINC001184697244 1071829034 /nfs/dbraw/zinc/82/90/34/1071829034.db2.gz MNPXLJLIPIEJBM-CBLPJQPBSA-N -1 0 424.428 -1.791 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1=NOC2(C1)CCCCC2 ZINC001184697314 1071828888 /nfs/dbraw/zinc/82/88/88/1071828888.db2.gz MNPXLJLIPIEJBM-SKENRDBWSA-N -1 0 424.428 -1.791 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184720512 1071828991 /nfs/dbraw/zinc/82/89/91/1071828991.db2.gz HWWZAKRLLOREJE-UHFFFAOYSA-N -1 0 415.424 -1.233 20 0 HAADRM Cc1ccc(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1C(=O)[O-] ZINC001184732964 1071829020 /nfs/dbraw/zinc/82/90/20/1071829020.db2.gz DLFSQDTZIMIJGL-BSVDJGSKSA-N -1 0 405.425 -1.184 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1[nH]c(=O)ccc1Cl ZINC001184817009 1071829866 /nfs/dbraw/zinc/82/98/66/1071829866.db2.gz ZARVUYFJAHGVRL-GCIUGKJYSA-N -1 0 414.776 -2.776 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1[nH]c(=O)ccc1Cl ZINC001184817010 1071829504 /nfs/dbraw/zinc/82/95/04/1071829504.db2.gz ZARVUYFJAHGVRL-YFRUYUJSSA-N -1 0 414.776 -2.776 20 0 HAADRM CC(=O)c1ccnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001184866511 1071829446 /nfs/dbraw/zinc/82/94/46/1071829446.db2.gz BFDVSHJSYWBXOS-CBLPJQPBSA-N -1 0 406.369 -2.359 20 0 HAADRM CC(=O)c1ccnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001184866512 1071829848 /nfs/dbraw/zinc/82/98/48/1071829848.db2.gz BFDVSHJSYWBXOS-SKENRDBWSA-N -1 0 406.369 -2.359 20 0 HAADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1C ZINC001184975079 1071829470 /nfs/dbraw/zinc/82/94/70/1071829470.db2.gz PDXFVDJFGQSFCH-UEWQFTGXSA-N -1 0 412.442 -2.294 20 0 HAADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nc1C ZINC001184975080 1071829567 /nfs/dbraw/zinc/82/95/67/1071829567.db2.gz PDXFVDJFGQSFCH-VCMDJLOCSA-N -1 0 412.442 -2.294 20 0 HAADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CC(=O)NCC(=O)NCC(N)=O)nc1C ZINC001184996022 1071829807 /nfs/dbraw/zinc/82/98/07/1071829807.db2.gz IVVFCHLXCRVYSK-UHFFFAOYSA-N -1 0 421.457 -2.376 20 0 HAADRM C[C@@H]1C[C@@H]1c1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001185169143 1071830325 /nfs/dbraw/zinc/83/03/25/1071830325.db2.gz YDADFVQBFXQKEO-BYAGJSGWSA-N -1 0 419.412 -2.043 20 0 HAADRM C[C@@H]1C[C@H]1c1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001185169144 1071830363 /nfs/dbraw/zinc/83/03/63/1071830363.db2.gz YDADFVQBFXQKEO-CARQANPRSA-N -1 0 419.412 -2.043 20 0 HAADRM C[C@@H]1C[C@@H]1c1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001185169146 1071830388 /nfs/dbraw/zinc/83/03/88/1071830388.db2.gz YDADFVQBFXQKEO-GMAJCCNYSA-N -1 0 419.412 -2.043 20 0 HAADRM C[C@@H]1C[C@H]1c1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001185169148 1071830576 /nfs/dbraw/zinc/83/05/76/1071830576.db2.gz YDADFVQBFXQKEO-PAVMQBNDSA-N -1 0 419.412 -2.043 20 0 HAADRM CN(Cc1ccccc1)[C@@H](CO)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001185223229 1071830536 /nfs/dbraw/zinc/83/05/36/1071830536.db2.gz BSHRXOYKEPROKG-JTQLQIEISA-N -1 0 412.428 -1.158 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ncccc1C1CCC1 ZINC001185296330 1071831209 /nfs/dbraw/zinc/83/12/09/1071831209.db2.gz PQRXZYSCRYXGSF-GGXZVJIVSA-N -1 0 418.424 -1.294 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ncccc1C1CCC1 ZINC001185296332 1071831260 /nfs/dbraw/zinc/83/12/60/1071831260.db2.gz PQRXZYSCRYXGSF-VPOMQUIYSA-N -1 0 418.424 -1.294 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc(C2CCC2)ccn1 ZINC001185315304 1071831154 /nfs/dbraw/zinc/83/11/54/1071831154.db2.gz MLQBMJDNKYOFKS-PAURTPPISA-N -1 0 418.424 -1.294 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc(C2CCC2)ccn1 ZINC001185315305 1071831127 /nfs/dbraw/zinc/83/11/27/1071831127.db2.gz MLQBMJDNKYOFKS-UTGUJQJDSA-N -1 0 418.424 -1.294 20 0 HAADRM COc1ccc(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1C(=O)[O-] ZINC001185340761 1071831237 /nfs/dbraw/zinc/83/12/37/1071831237.db2.gz IYZCJFKVJFPYHS-RGPMDHNWSA-N -1 0 421.424 -1.484 20 0 HAADRM COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001185341111 1071831052 /nfs/dbraw/zinc/83/10/52/1071831052.db2.gz XRNGBBREWHCTQX-UHFFFAOYSA-N -1 0 402.385 -2.611 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185350479 1071831181 /nfs/dbraw/zinc/83/11/81/1071831181.db2.gz BMHXYCVFEIVCET-QYVSTXNMSA-N -1 0 404.426 -1.544 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2ccsc2)[C@@H](O)[C@@H]1O ZINC001185413206 1071831701 /nfs/dbraw/zinc/83/17/01/1071831701.db2.gz IXAUPAPLAKAUKX-IGORNWKESA-N -1 0 405.428 -2.347 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2ccsc2)[C@@H](O)[C@@H]1O ZINC001185413207 1071831850 /nfs/dbraw/zinc/83/18/50/1071831850.db2.gz IXAUPAPLAKAUKX-VVULQXIFSA-N -1 0 405.428 -2.347 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C12CCC(F)(CC1)CC2 ZINC001185537215 1071831782 /nfs/dbraw/zinc/83/17/82/1071831782.db2.gz CGDAANJMCLDCBZ-LNGGIJQQSA-N -1 0 413.420 -1.208 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C12CCC(F)(CC1)CC2 ZINC001185537216 1071831732 /nfs/dbraw/zinc/83/17/32/1071831732.db2.gz CGDAANJMCLDCBZ-LQGRTNKVSA-N -1 0 413.420 -1.208 20 0 HAADRM COc1nccc(F)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001185580713 1071832481 /nfs/dbraw/zinc/83/24/81/1071832481.db2.gz VEBYANYERHRLCW-ABDJVACUSA-N -1 0 412.348 -2.414 20 0 HAADRM COc1nccc(F)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001185580714 1071832671 /nfs/dbraw/zinc/83/26/71/1071832671.db2.gz VEBYANYERHRLCW-RRDYINPDSA-N -1 0 412.348 -2.414 20 0 HAADRM CN(CC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653565 1071832432 /nfs/dbraw/zinc/83/24/32/1071832432.db2.gz GLDMTHXNEMLYSV-UTUOFQBUSA-N -1 0 403.376 -1.180 20 0 HAADRM CN(CC(=O)N1CCCn2nnc(Cn3ccnc3)c2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653935 1071832442 /nfs/dbraw/zinc/83/24/42/1071832442.db2.gz KGWOLHTYFZLAEM-UHFFFAOYSA-N -1 0 411.363 -1.196 20 0 HAADRM Cc1ccc(N2CCO[C@H]3CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@H]32)nn1 ZINC001185654005 1071832634 /nfs/dbraw/zinc/83/26/34/1071832634.db2.gz LLVPQHKXOITQEE-NEPJUHHUSA-N -1 0 413.375 -1.250 20 0 HAADRM CCN1C[C@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@H]2S1(=O)=O ZINC001185654057 1071832421 /nfs/dbraw/zinc/83/24/21/1071832421.db2.gz MDSYNKCNXSJDBJ-GHMZBOCLSA-N -1 0 411.421 -1.192 20 0 HAADRM CN(CC(=O)N1CC[C@H]2[C@H]1CCN2C(=O)c1cnn(C)c1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654283 1071832678 /nfs/dbraw/zinc/83/26/78/1071832678.db2.gz MNPCABIIHOWDGB-NEPJUHHUSA-N -1 0 413.375 -1.216 20 0 HAADRM CN(CC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654461 1071832524 /nfs/dbraw/zinc/83/25/24/1071832524.db2.gz QBUSEPNHTXMCQZ-UHFFFAOYSA-N -1 0 415.347 -1.727 20 0 HAADRM CN(CC(=O)N1CCn2c(CN3CCOCC3)nnc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654463 1071832544 /nfs/dbraw/zinc/83/25/44/1071832544.db2.gz QDZFDDZJMZGDJA-UHFFFAOYSA-N -1 0 416.379 -1.999 20 0 HAADRM CN(CC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654759 1071832607 /nfs/dbraw/zinc/83/26/07/1071832607.db2.gz RPUNMKUGOUJMIC-IJLUTSLNSA-N -1 0 419.375 -1.152 20 0 HAADRM CN(CC(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654968 1071832973 /nfs/dbraw/zinc/83/29/73/1071832973.db2.gz UIDOFFURVJIIPE-IJLUTSLNSA-N -1 0 403.376 -1.323 20 0 HAADRM CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]21 ZINC001185655185 1071833009 /nfs/dbraw/zinc/83/30/09/1071833009.db2.gz UQKCOGDYXURMAY-IJLUTSLNSA-N -1 0 405.392 -1.123 20 0 HAADRM CN(CC(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655271 1071833004 /nfs/dbraw/zinc/83/30/04/1071833004.db2.gz VSZZFQTZUQNVAB-HNNXBMFYSA-N -1 0 413.375 -1.076 20 0 HAADRM CN(CC(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655272 1071832953 /nfs/dbraw/zinc/83/29/53/1071832953.db2.gz VSZZFQTZUQNVAB-OAHLLOKOSA-N -1 0 413.375 -1.076 20 0 HAADRM CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185655295 1071833103 /nfs/dbraw/zinc/83/31/03/1071833103.db2.gz WPHMCYXLUAIDLN-UHFFFAOYSA-N -1 0 416.379 -1.462 20 0 HAADRM CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185655297 1071833093 /nfs/dbraw/zinc/83/30/93/1071833093.db2.gz WSGPAOFHZKJWBP-LLVKDONJSA-N -1 0 421.391 -1.552 20 0 HAADRM CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185655298 1071832996 /nfs/dbraw/zinc/83/29/96/1071832996.db2.gz WSGPAOFHZKJWBP-NSHDSACASA-N -1 0 421.391 -1.552 20 0 HAADRM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]21 ZINC001185655326 1071833045 /nfs/dbraw/zinc/83/30/45/1071833045.db2.gz XNTPHOHNVMERAE-SDDRHHMPSA-N -1 0 420.407 -1.330 20 0 HAADRM CCOC(=O)c1cnc2n1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185655978 1071833029 /nfs/dbraw/zinc/83/30/29/1071833029.db2.gz BIULYRCFYMISKX-UHFFFAOYSA-N -1 0 402.348 -1.007 20 0 HAADRM CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2)C1 ZINC001185656364 1071833124 /nfs/dbraw/zinc/83/31/24/1071833124.db2.gz DZFSMMHVFBOJME-IAQYHMDHSA-N -1 0 420.407 -1.043 20 0 HAADRM COCCN1CCO[C@H]2CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@H]2C1=O ZINC001185656557 1071833138 /nfs/dbraw/zinc/83/31/38/1071833138.db2.gz GEFHXVCUISDLKK-NEPJUHHUSA-N -1 0 421.391 -1.742 20 0 HAADRM COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185656561 1071832932 /nfs/dbraw/zinc/83/29/32/1071832932.db2.gz GGGGHICCXBRRSW-MRVPVSSYSA-N -1 0 412.361 -2.276 20 0 HAADRM COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001185656569 1071833019 /nfs/dbraw/zinc/83/30/19/1071833019.db2.gz GGGGHICCXBRRSW-QMMMGPOBSA-N -1 0 412.361 -2.276 20 0 HAADRM CN(CC(=O)N1CC(N2CCN(c3ccccn3)CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657200 1071832986 /nfs/dbraw/zinc/83/29/86/1071832986.db2.gz PHEGMZBJZRWHMU-UHFFFAOYSA-N -1 0 411.403 -1.037 20 0 HAADRM CN(CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657281 1071833116 /nfs/dbraw/zinc/83/31/16/1071833116.db2.gz RVSDMQFCEPTPTR-JTQLQIEISA-N -1 0 420.388 -1.490 20 0 HAADRM CN(CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657282 1071833061 /nfs/dbraw/zinc/83/30/61/1071833061.db2.gz RVSDMQFCEPTPTR-SNVBAGLBSA-N -1 0 420.388 -1.490 20 0 HAADRM CC(=O)NCc1ncn2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCC2 ZINC001185657305 1071833827 /nfs/dbraw/zinc/83/38/27/1071833827.db2.gz SOIDAAIMJRUMDC-UHFFFAOYSA-N -1 0 401.364 -1.200 20 0 HAADRM CN(CC(=O)N1CCCn2c(Cn3cccn3)nnc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657325 1071833667 /nfs/dbraw/zinc/83/36/67/1071833667.db2.gz TWEBPVZOFKOJKL-UHFFFAOYSA-N -1 0 411.363 -1.196 20 0 HAADRM CN(CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662194 1071833884 /nfs/dbraw/zinc/83/38/84/1071833884.db2.gz PYZWZZFCXWSHJP-UHFFFAOYSA-N -1 0 406.380 -1.432 20 0 HAADRM CN(CC(=O)N1CCC(N2CCCCS2(=O)=O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662272 1071833941 /nfs/dbraw/zinc/83/39/41/1071833941.db2.gz SBKLDICVQYMXPO-UHFFFAOYSA-N -1 0 411.421 -1.048 20 0 HAADRM CC(=O)N1CC2(C1)CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@@H]2C(=O)N(C)C ZINC001185662799 1071833728 /nfs/dbraw/zinc/83/37/28/1071833728.db2.gz WOHRECUBZDBUKF-LLVKDONJSA-N -1 0 418.391 -2.070 20 0 HAADRM CC(=O)N1CC2(C1)CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@H]2C(=O)N(C)C ZINC001185662802 1071833933 /nfs/dbraw/zinc/83/39/33/1071833933.db2.gz WOHRECUBZDBUKF-NSHDSACASA-N -1 0 418.391 -2.070 20 0 HAADRM COCCOCCOCCOCCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664261 1071833909 /nfs/dbraw/zinc/83/39/09/1071833909.db2.gz SYTHXKOVLMZXSZ-UHFFFAOYSA-N -1 0 400.369 -1.652 20 0 HAADRM COCCC1(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCS(=O)(=O)CC1 ZINC001185668062 1071833646 /nfs/dbraw/zinc/83/36/46/1071833646.db2.gz UAZAWLLQQXYLOS-UHFFFAOYSA-N -1 0 400.394 -1.365 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1scnc1C1CC1 ZINC001185705652 1071833785 /nfs/dbraw/zinc/83/37/85/1071833785.db2.gz CWKMAIYWHFCVQY-ABDJVACUSA-N -1 0 410.426 -1.623 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1scnc1C1CC1 ZINC001185705653 1071833675 /nfs/dbraw/zinc/83/36/75/1071833675.db2.gz CWKMAIYWHFCVQY-RRDYINPDSA-N -1 0 410.426 -1.623 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185928632 1071835278 /nfs/dbraw/zinc/83/52/78/1071835278.db2.gz JSUFDDFBHKNJSB-UHFFFAOYSA-N -1 0 415.424 -1.233 20 0 HAADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001185944337 1071835297 /nfs/dbraw/zinc/83/52/97/1071835297.db2.gz USBKIIBTMFCCEH-BSVDJGSKSA-N -1 0 405.425 -1.184 20 0 HAADRM CC(C)(C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C1CCOCC1 ZINC001185998394 1071835788 /nfs/dbraw/zinc/83/57/88/1071835788.db2.gz CORWZNJGGNIQSO-SYLRKERUSA-N -1 0 413.445 -1.818 20 0 HAADRM CC(C)(C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C1CCOCC1 ZINC001185998395 1071835747 /nfs/dbraw/zinc/83/57/47/1071835747.db2.gz CORWZNJGGNIQSO-VEGXAWMVSA-N -1 0 413.445 -1.818 20 0 HAADRM C[C@H](CCc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001186026781 1071835153 /nfs/dbraw/zinc/83/51/53/1071835153.db2.gz JBBPFBAOZYWSSH-IQTBDGIPSA-N -1 0 419.452 -1.002 20 0 HAADRM C[C@@H](CCc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001186026787 1071835118 /nfs/dbraw/zinc/83/51/18/1071835118.db2.gz JBBPFBAOZYWSSH-ISCRGKCDSA-N -1 0 419.452 -1.002 20 0 HAADRM C[C@@H](CCc1ccccc1)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001186026989 1071835047 /nfs/dbraw/zinc/83/50/47/1071835047.db2.gz JBBPFBAOZYWSSH-IVWVKOLVSA-N -1 0 419.452 -1.002 20 0 HAADRM C[C@H](CCc1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001186026990 1071834937 /nfs/dbraw/zinc/83/49/37/1071834937.db2.gz JBBPFBAOZYWSSH-VRMQGGBLSA-N -1 0 419.452 -1.002 20 0 HAADRM CN(C)c1cccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001186074478 1071835762 /nfs/dbraw/zinc/83/57/62/1071835762.db2.gz ZEQRIOOOTOJBBR-BTAUDXDXSA-N -1 0 420.440 -1.962 20 0 HAADRM CN(C)c1cccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001186074481 1071835980 /nfs/dbraw/zinc/83/59/80/1071835980.db2.gz ZEQRIOOOTOJBBR-JPIRQXTESA-N -1 0 420.440 -1.962 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186209107 1071836584 /nfs/dbraw/zinc/83/65/84/1071836584.db2.gz BWRBJTLENBJJKG-UHFFFAOYSA-N -1 0 419.387 -1.402 20 0 HAADRM C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001186217125 1071836663 /nfs/dbraw/zinc/83/66/63/1071836663.db2.gz HPYLZBMFPRPWMK-BBOGJPIGSA-N -1 0 409.388 -1.354 20 0 HAADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001186222439 1071836476 /nfs/dbraw/zinc/83/64/76/1071836476.db2.gz OLBYRFGZZSKLGU-NFULHVNHSA-N -1 0 404.536 -2.107 20 0 HAADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001186222440 1071836492 /nfs/dbraw/zinc/83/64/92/1071836492.db2.gz OLBYRFGZZSKLGU-QWVJXAHUSA-N -1 0 404.536 -2.107 20 0 HAADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001186222441 1071836444 /nfs/dbraw/zinc/83/64/44/1071836444.db2.gz OLBYRFGZZSKLGU-WEVHURDZSA-N -1 0 404.536 -2.107 20 0 HAADRM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001186222442 1071836648 /nfs/dbraw/zinc/83/66/48/1071836648.db2.gz OLBYRFGZZSKLGU-XJUBTRFSSA-N -1 0 404.536 -2.107 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(F)cc1F ZINC001186406311 1071837083 /nfs/dbraw/zinc/83/70/83/1071837083.db2.gz NEOQFJOJOKAUPF-CBLPJQPBSA-N -1 0 413.351 -1.370 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(F)cc1F ZINC001186406314 1071837144 /nfs/dbraw/zinc/83/71/44/1071837144.db2.gz NEOQFJOJOKAUPF-SKENRDBWSA-N -1 0 413.351 -1.370 20 0 HAADRM COc1cccc(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1C ZINC001186476269 1071837123 /nfs/dbraw/zinc/83/71/23/1071837123.db2.gz INTLFRXOQYVNGT-BTAUDXDXSA-N -1 0 421.424 -1.711 20 0 HAADRM COc1cccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1C ZINC001186476270 1071837044 /nfs/dbraw/zinc/83/70/44/1071837044.db2.gz INTLFRXOQYVNGT-JPIRQXTESA-N -1 0 421.424 -1.711 20 0 HAADRM CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C ZINC001186596288 1071843322 /nfs/dbraw/zinc/84/33/22/1071843322.db2.gz RHLZVWGNVQYDBZ-RYUDHWBXSA-N -1 0 400.432 -1.358 20 0 HAADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)cc1 ZINC001186599576 1071843919 /nfs/dbraw/zinc/84/39/19/1071843919.db2.gz RQABMAGIYURRPR-LBPRGKRZSA-N -1 0 416.412 -1.717 20 0 HAADRM CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12 ZINC001186599589 1071844024 /nfs/dbraw/zinc/84/40/24/1071844024.db2.gz RZNCEFLDIHAEQO-NSHDSACASA-N -1 0 415.366 -1.475 20 0 HAADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186636321 1071848297 /nfs/dbraw/zinc/84/82/97/1071848297.db2.gz QEABYWRHTXGKGS-GMOBBJLQSA-N -1 0 416.431 -1.957 20 0 HAADRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001186639082 1071848993 /nfs/dbraw/zinc/84/89/93/1071848993.db2.gz PPEFPOFSNNDGMR-CIUDSAMLSA-N -1 0 405.415 -1.567 20 0 HAADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCS(=O)(=O)[O-])C(N)=O ZINC001186649071 1071850374 /nfs/dbraw/zinc/85/03/74/1071850374.db2.gz KTACEEYZIRMHTM-DTWKUNHWSA-N -1 0 410.449 -1.389 20 0 HAADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N[C@@H]1CO[N-]C1=O)C(N)=O ZINC001186649974 1071850338 /nfs/dbraw/zinc/85/03/38/1071850338.db2.gz RZPMEGJVMMRYQJ-IVZWLZJFSA-N -1 0 401.420 -1.804 20 0 HAADRM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1C(=O)N=CN=C1[O-] ZINC001186663822 1071850875 /nfs/dbraw/zinc/85/08/75/1071850875.db2.gz SJKMIEUXEFTJJY-RYUDHWBXSA-N -1 0 420.426 -1.056 20 0 HAADRM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCS(=O)(=O)[O-] ZINC001186669026 1071845907 /nfs/dbraw/zinc/84/59/07/1071845907.db2.gz CGKKGDPIIGGJPP-RYUDHWBXSA-N -1 0 404.445 -1.934 20 0 HAADRM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001186669084 1071845841 /nfs/dbraw/zinc/84/58/41/1071845841.db2.gz CUIYSKLZCANKQE-RYUDHWBXSA-N -1 0 407.431 -1.755 20 0 HAADRM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)CCC(=O)[O-] ZINC001186670302 1071846427 /nfs/dbraw/zinc/84/64/27/1071846427.db2.gz COYLUAVCEUHSJK-GJZGRUSLSA-N -1 0 424.454 -1.345 20 0 HAADRM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001186716377 1071851773 /nfs/dbraw/zinc/85/17/73/1071851773.db2.gz YSKSOYPUYSZWHV-RFZPGFLSSA-N -1 0 406.377 -2.195 20 0 HAADRM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001186727126 1071851601 /nfs/dbraw/zinc/85/16/01/1071851601.db2.gz GXGRJCUGLURZCK-BREBYQMCSA-N -1 0 411.415 -1.516 20 0 HAADRM CCOCc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001187112423 1071852122 /nfs/dbraw/zinc/85/21/22/1071852122.db2.gz OTPGUPTZUCYVQE-PAURTPPISA-N -1 0 421.424 -1.420 20 0 HAADRM CCOCc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001187112425 1071852332 /nfs/dbraw/zinc/85/23/32/1071852332.db2.gz OTPGUPTZUCYVQE-UTGUJQJDSA-N -1 0 421.424 -1.420 20 0 HAADRM C[C@@H](C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)N1CCOCC1 ZINC001187178947 1071853002 /nfs/dbraw/zinc/85/30/02/1071853002.db2.gz RMCQJUOYMVBNHE-CTAKWSDESA-N -1 0 400.406 -3.550 20 0 HAADRM C[C@@H](C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)N1CCOCC1 ZINC001187178948 1071853255 /nfs/dbraw/zinc/85/32/55/1071853255.db2.gz RMCQJUOYMVBNHE-GRRZBWEESA-N -1 0 400.406 -3.550 20 0 HAADRM CCOCCS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001187249678 1071852949 /nfs/dbraw/zinc/85/29/49/1071852949.db2.gz FPXYDPRXWKMUNM-RTWAVKEYSA-N -1 0 402.429 -1.179 20 0 HAADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001187379571 1071853822 /nfs/dbraw/zinc/85/38/22/1071853822.db2.gz LOMVUNYLTGPFDU-DZQJYWQESA-N -1 0 416.408 -1.037 20 0 HAADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001187382803 1071853778 /nfs/dbraw/zinc/85/37/78/1071853778.db2.gz LOMVUNYLTGPFDU-VMMWWAARSA-N -1 0 416.408 -1.037 20 0 HAADRM Cc1oncc1S(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001187413775 1071854383 /nfs/dbraw/zinc/85/43/83/1071854383.db2.gz IGLZRGOKMLRDBK-GRUVDUQJSA-N -1 0 404.375 -3.112 20 0 HAADRM Cc1oncc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001187413776 1071854466 /nfs/dbraw/zinc/85/44/66/1071854466.db2.gz IGLZRGOKMLRDBK-QXOHVQIXSA-N -1 0 404.375 -3.112 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187606862 1071856325 /nfs/dbraw/zinc/85/63/25/1071856325.db2.gz ZNIJZZGFEJOTSH-UHFFFAOYSA-N -1 0 406.804 -1.966 20 0 HAADRM COc1ccccc1[C@H](C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001187689678 1071857153 /nfs/dbraw/zinc/85/71/53/1071857153.db2.gz ICBBTSCMCLRSMS-NFFWDHAMSA-N -1 0 421.424 -1.458 20 0 HAADRM COc1ccccc1[C@H](C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001187689679 1071857098 /nfs/dbraw/zinc/85/70/98/1071857098.db2.gz ICBBTSCMCLRSMS-TZUCMVDDSA-N -1 0 421.424 -1.458 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1nccs1 ZINC001187853342 1071857874 /nfs/dbraw/zinc/85/78/74/1071857874.db2.gz LXBVJPGYVVDTFY-IOSLPCCCSA-N -1 0 405.414 -2.149 20 0 HAADRM COCCn1nccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001187874400 1071857733 /nfs/dbraw/zinc/85/77/33/1071857733.db2.gz KDNOXUFRVOGJPJ-CJJWORHMSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1nccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001187874403 1071857931 /nfs/dbraw/zinc/85/79/31/1071857931.db2.gz KDNOXUFRVOGJPJ-VDWIVTDKSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001187916150 1071857669 /nfs/dbraw/zinc/85/76/69/1071857669.db2.gz SJZARLLRSDHDER-CJJWORHMSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001187916152 1071858003 /nfs/dbraw/zinc/85/80/03/1071858003.db2.gz SJZARLLRSDHDER-VDWIVTDKSA-N -1 0 411.389 -3.114 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2nccs2)[C@@H](O)[C@@H]1O ZINC001187921065 1071858017 /nfs/dbraw/zinc/85/80/17/1071858017.db2.gz WFXLSYMANHKYFT-FMDGEEDCSA-N -1 0 406.416 -2.952 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2nccs2)[C@@H](O)[C@@H]1O ZINC001187921066 1071857973 /nfs/dbraw/zinc/85/79/73/1071857973.db2.gz WFXLSYMANHKYFT-PVFLNQBWSA-N -1 0 406.416 -2.952 20 0 HAADRM CCCc1onc(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001187947055 1071857841 /nfs/dbraw/zinc/85/78/41/1071857841.db2.gz PANJDZHVTDQKBS-MNNAQAQOSA-N -1 0 410.401 -1.708 20 0 HAADRM CCCc1onc(C)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001187947056 1071857647 /nfs/dbraw/zinc/85/76/47/1071857647.db2.gz PANJDZHVTDQKBS-PDOXLSOOSA-N -1 0 410.401 -1.708 20 0 HAADRM CN(C)c1nccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001188011124 1071858583 /nfs/dbraw/zinc/85/85/83/1071858583.db2.gz QLCZCCMIRZHLGG-CDPPZIPSSA-N -1 0 408.389 -3.101 20 0 HAADRM CN(C)c1nccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001188011127 1071858702 /nfs/dbraw/zinc/85/87/02/1071858702.db2.gz QLCZCCMIRZHLGG-SANCVJEGSA-N -1 0 408.389 -3.101 20 0 HAADRM COc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(C)c1C ZINC001188091908 1071858713 /nfs/dbraw/zinc/85/87/13/1071858713.db2.gz UITNRMNRKCNETB-PAURTPPISA-N -1 0 421.424 -1.331 20 0 HAADRM COc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(C)c1C ZINC001188091914 1071858681 /nfs/dbraw/zinc/85/86/81/1071858681.db2.gz UITNRMNRKCNETB-UTGUJQJDSA-N -1 0 421.424 -1.331 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1nnsc1C1CC1 ZINC001188100315 1071858430 /nfs/dbraw/zinc/85/84/30/1071858430.db2.gz ZRKNEEOLXGVVEX-KQFFWARNSA-N -1 0 411.414 -2.228 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1nnsc1C1CC1 ZINC001188100316 1071858469 /nfs/dbraw/zinc/85/84/69/1071858469.db2.gz ZRKNEEOLXGVVEX-VQPBACBFSA-N -1 0 411.414 -2.228 20 0 HAADRM CNS(=O)(=O)c1ccc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1 ZINC001188105730 1071858668 /nfs/dbraw/zinc/85/86/68/1071858668.db2.gz PLFKHSUUAALZDH-UHFFFAOYSA-N -1 0 418.413 -1.695 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccccc1C(F)F ZINC001188293215 1071859126 /nfs/dbraw/zinc/85/91/26/1071859126.db2.gz SAGAOSGTHNDMDY-GIBVNIFISA-N -1 0 413.351 -1.019 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccccc1C(F)F ZINC001188293216 1071859080 /nfs/dbraw/zinc/85/90/80/1071859080.db2.gz SAGAOSGTHNDMDY-GOBQNSBTSA-N -1 0 413.351 -1.019 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188341549 1071859099 /nfs/dbraw/zinc/85/90/99/1071859099.db2.gz FQJDCLHGKJTDSE-UHFFFAOYSA-N -1 0 406.804 -1.966 20 0 HAADRM CCc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc(C)n1 ZINC001188351451 1071859196 /nfs/dbraw/zinc/85/91/96/1071859196.db2.gz LKDVQOFVWUMSJH-FTQJZPFOSA-N -1 0 406.413 -1.691 20 0 HAADRM CCc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc(C)n1 ZINC001188351452 1071859383 /nfs/dbraw/zinc/85/93/83/1071859383.db2.gz LKDVQOFVWUMSJH-HVNMYJMUSA-N -1 0 406.413 -1.691 20 0 HAADRM COC(=O)CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001188352503 1071859175 /nfs/dbraw/zinc/85/91/75/1071859175.db2.gz BRPCRTCWADHTQD-IVZWLZJFSA-N -1 0 401.401 -1.228 20 0 HAADRM COC(=O)CCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001188352584 1071859350 /nfs/dbraw/zinc/85/93/50/1071859350.db2.gz GVAHVYJCLHXANU-ATEUNZGCSA-N -1 0 401.401 -1.228 20 0 HAADRM COC(=O)CCS(=O)(=O)[N-]c1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001188352957 1071859363 /nfs/dbraw/zinc/85/93/63/1071859363.db2.gz QHVDFPYBGQPOMJ-ZRFIDHNTSA-N -1 0 408.389 -3.102 20 0 HAADRM COC(=O)CCS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001188355645 1071859254 /nfs/dbraw/zinc/85/92/54/1071859254.db2.gz RPEDWNWUZQHREF-SDBHATRESA-N -1 0 416.412 -1.652 20 0 HAADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc(N3CCOCC3)nc2)C(=O)N1S(=O)(=O)[O-] ZINC001188543956 1071859893 /nfs/dbraw/zinc/85/98/93/1071859893.db2.gz YVBRNNWATUWQRN-CABZTGNLSA-N -1 0 406.442 -1.401 20 0 HAADRM O=S(=O)(Cc1cccc(Br)c1)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001188704323 1071860416 /nfs/dbraw/zinc/86/04/16/1071860416.db2.gz OPPNQBAULVEULQ-SYLRKERUSA-N -1 0 412.258 -1.332 20 0 HAADRM O=S(=O)(Cc1cccc(Br)c1)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001188704324 1071860652 /nfs/dbraw/zinc/86/06/52/1071860652.db2.gz OPPNQBAULVEULQ-VEGXAWMVSA-N -1 0 412.258 -1.332 20 0 HAADRM COc1cccc(C)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001188812425 1071860519 /nfs/dbraw/zinc/86/05/19/1071860519.db2.gz DPUPRSULGRQMEG-DECHUDPFSA-N -1 0 407.397 -1.640 20 0 HAADRM COc1cccc(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001188812427 1071861400 /nfs/dbraw/zinc/86/14/00/1071861400.db2.gz DPUPRSULGRQMEG-RFNSYMJRSA-N -1 0 407.397 -1.640 20 0 HAADRM Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001189044041 1071861309 /nfs/dbraw/zinc/86/13/09/1071861309.db2.gz VBDPJTUGWHZMIA-MNNAQAQOSA-N -1 0 423.444 -1.926 20 0 HAADRM Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001189044042 1071861350 /nfs/dbraw/zinc/86/13/50/1071861350.db2.gz VBDPJTUGWHZMIA-PDOXLSOOSA-N -1 0 423.444 -1.926 20 0 HAADRM Cc1cc(F)cc(C)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001189304292 1071861768 /nfs/dbraw/zinc/86/17/68/1071861768.db2.gz JJYARPHTAIWYIO-DECHUDPFSA-N -1 0 409.388 -1.201 20 0 HAADRM Cc1cc(F)cc(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001189304294 1071861828 /nfs/dbraw/zinc/86/18/28/1071861828.db2.gz JJYARPHTAIWYIO-RFNSYMJRSA-N -1 0 409.388 -1.201 20 0 HAADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cnc(N2CCOCC2)nc1 ZINC001189395251 1071862071 /nfs/dbraw/zinc/86/20/71/1071862071.db2.gz YMSHBJUDVSXGEO-AWEZNQCLSA-N -1 0 417.426 -1.032 20 0 HAADRM Cn1nc(C2CC2)cc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001189419182 1071861861 /nfs/dbraw/zinc/86/18/61/1071861861.db2.gz LIGAZJWXUSYAKY-CBLPJQPBSA-N -1 0 407.401 -2.346 20 0 HAADRM Cn1nc(C2CC2)cc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001189419187 1071861849 /nfs/dbraw/zinc/86/18/49/1071861849.db2.gz LIGAZJWXUSYAKY-SKENRDBWSA-N -1 0 407.401 -2.346 20 0 HAADRM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001189549839 1071864058 /nfs/dbraw/zinc/86/40/58/1071864058.db2.gz MJJPQUIKVAYQIU-SYLRKERUSA-N -1 0 401.359 -1.075 20 0 HAADRM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001189549841 1071864183 /nfs/dbraw/zinc/86/41/83/1071864183.db2.gz MJJPQUIKVAYQIU-VEGXAWMVSA-N -1 0 401.359 -1.075 20 0 HAADRM COc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1OC ZINC001189569420 1071864134 /nfs/dbraw/zinc/86/41/34/1071864134.db2.gz MGZIRVCPZBOREC-WKEGUHRASA-N -1 0 423.425 -1.517 20 0 HAADRM COC(=O)c1ccncc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001189807512 1071864807 /nfs/dbraw/zinc/86/48/07/1071864807.db2.gz DBDKQDSNZNCDHW-GIBVNIFISA-N -1 0 422.368 -2.775 20 0 HAADRM COC(=O)c1ccncc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001189807532 1071864905 /nfs/dbraw/zinc/86/49/05/1071864905.db2.gz DBDKQDSNZNCDHW-GOBQNSBTSA-N -1 0 422.368 -2.775 20 0 HAADRM CN(C)c1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001189858222 1071864788 /nfs/dbraw/zinc/86/47/88/1071864788.db2.gz YXDVRABQWSMPTG-CDPPZIPSSA-N -1 0 408.389 -3.101 20 0 HAADRM CN(C)c1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001189858223 1071864573 /nfs/dbraw/zinc/86/45/73/1071864573.db2.gz YXDVRABQWSMPTG-SANCVJEGSA-N -1 0 408.389 -3.101 20 0 HAADRM CCCc1nnsc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001190171840 1071866136 /nfs/dbraw/zinc/86/61/36/1071866136.db2.gz RLOANLRAURETFO-QFQOQTIOSA-N -1 0 413.430 -2.153 20 0 HAADRM CCCc1nnsc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001190171841 1071865985 /nfs/dbraw/zinc/86/59/85/1071865985.db2.gz RLOANLRAURETFO-ZTVJRRTOSA-N -1 0 413.430 -2.153 20 0 HAADRM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)c2ncc(F)cc2F)c(=O)[nH]1 ZINC001190208261 1071865964 /nfs/dbraw/zinc/86/59/64/1071865964.db2.gz IIJCKQGVAXBSBJ-UORFTKCHSA-N -1 0 420.350 -1.780 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190218663 1071866093 /nfs/dbraw/zinc/86/60/93/1071866093.db2.gz PKHNUWYFJJNJSH-JTQLQIEISA-N -1 0 405.383 -1.769 20 0 HAADRM COc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(OC)n1 ZINC001190252454 1071866072 /nfs/dbraw/zinc/86/60/72/1071866072.db2.gz LBMNTOJMQHYJGX-JSCYOIMZSA-N -1 0 424.384 -2.544 20 0 HAADRM COc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(OC)n1 ZINC001190252464 1071866126 /nfs/dbraw/zinc/86/61/26/1071866126.db2.gz LBMNTOJMQHYJGX-RDROLGDGSA-N -1 0 424.384 -2.544 20 0 HAADRM COC(=O)c1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001190322971 1071866961 /nfs/dbraw/zinc/86/69/61/1071866961.db2.gz QZUJIKFVQOCGLS-GIBVNIFISA-N -1 0 422.368 -2.775 20 0 HAADRM COC(=O)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001190322972 1071866821 /nfs/dbraw/zinc/86/68/21/1071866821.db2.gz QZUJIKFVQOCGLS-GOBQNSBTSA-N -1 0 422.368 -2.775 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190420629 1071866938 /nfs/dbraw/zinc/86/69/38/1071866938.db2.gz YJPWXEIDTGLUMP-JTQLQIEISA-N -1 0 422.385 -1.025 20 0 HAADRM CCOC(=O)CC[C@H](NC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)C(=O)OCC ZINC001190487078 1071866708 /nfs/dbraw/zinc/86/67/08/1071866708.db2.gz QXHAQSZYTLUAJG-QXEWZRGKSA-N -1 0 409.417 -1.037 20 0 HAADRM O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@@H]21)N1CCOCC1 ZINC001190698783 1071867683 /nfs/dbraw/zinc/86/76/83/1071867683.db2.gz NGZWVAXRVBPQHU-JHJVBQTASA-N -1 0 418.497 -1.308 20 0 HAADRM O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)c3ncc[n-]3)C[C@@H]21)N1CCOCC1 ZINC001190698795 1071867476 /nfs/dbraw/zinc/86/74/76/1071867476.db2.gz NGZWVAXRVBPQHU-YNEHKIRRSA-N -1 0 418.497 -1.308 20 0 HAADRM CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)c3ncc[n-]3)CC[C@H]2S1(=O)=O ZINC001190706525 1071867599 /nfs/dbraw/zinc/86/75/99/1071867599.db2.gz UQESBFRCGCQMMJ-VXGBXAGGSA-N -1 0 405.502 -1.087 20 0 HAADRM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ncc[n-]1)C(=O)NCC(N)=O ZINC001190707903 1071867809 /nfs/dbraw/zinc/86/78/09/1071867809.db2.gz QOKWCMUYJIDLLS-RYUDHWBXSA-N -1 0 414.488 -1.305 20 0 HAADRM CN(C)c1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001190735552 1071868506 /nfs/dbraw/zinc/86/85/06/1071868506.db2.gz BFQLFZKIDPPBGC-BCPMIOLYSA-N -1 0 408.389 -3.101 20 0 HAADRM CN(C)c1cncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001190735553 1071868089 /nfs/dbraw/zinc/86/80/89/1071868089.db2.gz BFQLFZKIDPPBGC-SDAAFIMUSA-N -1 0 408.389 -3.101 20 0 HAADRM O=S(=O)(NCCOCCOCCOCCOCCOCCO)c1ncc[n-]1 ZINC001190749001 1071868108 /nfs/dbraw/zinc/86/81/08/1071868108.db2.gz QEIUOKLFKXVHES-UHFFFAOYSA-N -1 0 411.477 -1.237 20 0 HAADRM CC(=O)c1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001190755642 1071867589 /nfs/dbraw/zinc/86/75/89/1071867589.db2.gz IHOMABHYKNOSHM-CBLPJQPBSA-N -1 0 406.369 -2.359 20 0 HAADRM CC(=O)c1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001190755908 1071867552 /nfs/dbraw/zinc/86/75/52/1071867552.db2.gz IHOMABHYKNOSHM-SKENRDBWSA-N -1 0 406.369 -2.359 20 0 HAADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)c1cncc(N2CCOCC2)n1 ZINC001190775930 1071868201 /nfs/dbraw/zinc/86/82/01/1071868201.db2.gz UXOAZPCFJQMIBK-ZDUSSCGKSA-N -1 0 417.426 -1.032 20 0 HAADRM CCOc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001190795971 1071868520 /nfs/dbraw/zinc/86/85/20/1071868520.db2.gz IYMDUNPEXJSQCZ-CBLPJQPBSA-N -1 0 408.385 -2.163 20 0 HAADRM CCOc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001190795972 1071868334 /nfs/dbraw/zinc/86/83/34/1071868334.db2.gz IYMDUNPEXJSQCZ-SKENRDBWSA-N -1 0 408.385 -2.163 20 0 HAADRM COc1nc(C)ccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001190818614 1071868550 /nfs/dbraw/zinc/86/85/50/1071868550.db2.gz GWNVSEYLCDURHA-GIBVNIFISA-N -1 0 408.385 -2.245 20 0 HAADRM COc1nc(C)ccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001190818615 1071868535 /nfs/dbraw/zinc/86/85/35/1071868535.db2.gz GWNVSEYLCDURHA-GOBQNSBTSA-N -1 0 408.385 -2.245 20 0 HAADRM Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cnn1C(C)(C)C ZINC001190840024 1071868513 /nfs/dbraw/zinc/86/85/13/1071868513.db2.gz FUZPZTSMXLWVMC-CBLPJQPBSA-N -1 0 423.444 -1.697 20 0 HAADRM Cc1c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cnn1C(C)(C)C ZINC001190840030 1071868357 /nfs/dbraw/zinc/86/83/57/1071868357.db2.gz FUZPZTSMXLWVMC-SKENRDBWSA-N -1 0 423.444 -1.697 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2ccncc2)[C@@H](O)[C@@H]1O ZINC001190925017 1071868177 /nfs/dbraw/zinc/86/81/77/1071868177.db2.gz STMODTWKWFUJEM-ILAIQSSSSA-N -1 0 400.387 -3.013 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2ccncc2)[C@@H](O)[C@@H]1O ZINC001190925018 1071868259 /nfs/dbraw/zinc/86/82/59/1071868259.db2.gz STMODTWKWFUJEM-ISUQUUIWSA-N -1 0 400.387 -3.013 20 0 HAADRM CCCOc1ccccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001191004615 1071869243 /nfs/dbraw/zinc/86/92/43/1071869243.db2.gz ATROPRVZHUQFGW-PAURTPPISA-N -1 0 421.424 -1.168 20 0 HAADRM CCCOc1ccccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001191004616 1071869189 /nfs/dbraw/zinc/86/91/89/1071869189.db2.gz ATROPRVZHUQFGW-UTGUJQJDSA-N -1 0 421.424 -1.168 20 0 HAADRM CN(C)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001191072026 1071869272 /nfs/dbraw/zinc/86/92/72/1071869272.db2.gz MAOXUKUDJPGILY-MNNAQAQOSA-N -1 0 407.401 -2.496 20 0 HAADRM CN(C)c1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001191072027 1071869212 /nfs/dbraw/zinc/86/92/12/1071869212.db2.gz MAOXUKUDJPGILY-PDOXLSOOSA-N -1 0 407.401 -2.496 20 0 HAADRM COc1c(C)cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1C ZINC001191089459 1071869141 /nfs/dbraw/zinc/86/91/41/1071869141.db2.gz RSKJRIRHVQPLMD-WWRHJZOGSA-N -1 0 421.424 -1.331 20 0 HAADRM COc1c(C)cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1C ZINC001191089460 1071869131 /nfs/dbraw/zinc/86/91/31/1071869131.db2.gz RSKJRIRHVQPLMD-ZPFNRVMVSA-N -1 0 421.424 -1.331 20 0 HAADRM COC(=O)c1cncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001191226818 1071869225 /nfs/dbraw/zinc/86/92/25/1071869225.db2.gz FUXBBHSBUAYGEF-GIBVNIFISA-N -1 0 422.368 -2.775 20 0 HAADRM COC(=O)c1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001191226823 1071869177 /nfs/dbraw/zinc/86/91/77/1071869177.db2.gz FUXBBHSBUAYGEF-GOBQNSBTSA-N -1 0 422.368 -2.775 20 0 HAADRM COCOc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001191286848 1071869151 /nfs/dbraw/zinc/86/91/51/1071869151.db2.gz CCFIMHPEWIPMLL-FTQJZPFOSA-N -1 0 423.396 -1.974 20 0 HAADRM COCOc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001191286849 1071869659 /nfs/dbraw/zinc/86/96/59/1071869659.db2.gz CCFIMHPEWIPMLL-HVNMYJMUSA-N -1 0 423.396 -1.974 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)CC1CCCC1 ZINC001191490042 1071869773 /nfs/dbraw/zinc/86/97/73/1071869773.db2.gz PJNHYMXVOTUJJV-SDBHATRESA-N -1 0 404.445 -1.475 20 0 HAADRM Cn1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1Cl ZINC001191951272 1071871734 /nfs/dbraw/zinc/87/17/34/1071871734.db2.gz YDZJNSDEQXDVDI-HUOUWLIASA-N -1 0 401.781 -2.570 20 0 HAADRM Cn1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1Cl ZINC001191951278 1071871961 /nfs/dbraw/zinc/87/19/61/1071871961.db2.gz YDZJNSDEQXDVDI-UYEZSENVSA-N -1 0 401.781 -2.570 20 0 HAADRM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)C(Cl)(Cl)Cl)c(=O)[nH]1 ZINC001192050239 1071871927 /nfs/dbraw/zinc/87/19/27/1071871927.db2.gz SQLPCULWEJIMPM-XVFCMESISA-N -1 0 424.646 -1.185 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192053344 1071871758 /nfs/dbraw/zinc/87/17/58/1071871758.db2.gz CNSKCOSSTKUEAV-LURJTMIESA-N -1 0 409.679 -1.174 20 0 HAADRM C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001192174632 1071871858 /nfs/dbraw/zinc/87/18/58/1071871858.db2.gz FHXQGDOBJCHTDY-SKPIDZIXSA-N -1 0 419.452 -1.174 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192174773 1071871902 /nfs/dbraw/zinc/87/19/02/1071871902.db2.gz HSXNIXPMYIRERH-UHFFFAOYSA-N -1 0 400.413 -2.300 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(N2CCOCC2)ccn1 ZINC001192242399 1071871949 /nfs/dbraw/zinc/87/19/49/1071871949.db2.gz SYNJJTUSXXEFTG-UHFFFAOYSA-N -1 0 411.400 -1.371 20 0 HAADRM COc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc(OC)n1 ZINC001192421934 1071872491 /nfs/dbraw/zinc/87/24/91/1071872491.db2.gz SRSXQMALWSHQRR-DJNBFIRGSA-N -1 0 424.384 -2.544 20 0 HAADRM COc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc(OC)n1 ZINC001192421935 1071872545 /nfs/dbraw/zinc/87/25/45/1071872545.db2.gz SRSXQMALWSHQRR-NOIJRSPASA-N -1 0 424.384 -2.544 20 0 HAADRM COC(=O)c1ncccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001192509010 1071872537 /nfs/dbraw/zinc/87/25/37/1071872537.db2.gz YZAQFHQUTZCZMN-JSCYOIMZSA-N -1 0 422.368 -2.775 20 0 HAADRM COC(=O)c1ncccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001192509014 1071872499 /nfs/dbraw/zinc/87/24/99/1071872499.db2.gz YZAQFHQUTZCZMN-RDROLGDGSA-N -1 0 422.368 -2.775 20 0 HAADRM Cc1cc(=O)oc(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001192529880 1071873090 /nfs/dbraw/zinc/87/30/90/1071873090.db2.gz LAJMRVDUSGKNDB-DJNBFIRGSA-N -1 0 409.369 -2.387 20 0 HAADRM Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001192529914 1071873035 /nfs/dbraw/zinc/87/30/35/1071873035.db2.gz LAJMRVDUSGKNDB-NOIJRSPASA-N -1 0 409.369 -2.387 20 0 HAADRM CSc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)s1 ZINC001192651302 1071873059 /nfs/dbraw/zinc/87/30/59/1071873059.db2.gz UORJAYDQSDBNJG-GCIUGKJYSA-N -1 0 415.467 -1.173 20 0 HAADRM CSc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)s1 ZINC001192651328 1071873146 /nfs/dbraw/zinc/87/31/46/1071873146.db2.gz UORJAYDQSDBNJG-YFRUYUJSSA-N -1 0 415.467 -1.173 20 0 HAADRM CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001192675239 1071873115 /nfs/dbraw/zinc/87/31/15/1071873115.db2.gz SUSMECBTFUVISL-UHFFFAOYSA-N -1 0 416.412 -2.221 20 0 HAADRM CNC(=O)CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)C[C@H]21 ZINC001192696010 1071873139 /nfs/dbraw/zinc/87/31/39/1071873139.db2.gz NWYQSZJTKRSQPZ-CABCVRRESA-N -1 0 413.452 -1.030 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n(C(C)(C)C)n1 ZINC001192735776 1071873027 /nfs/dbraw/zinc/87/30/27/1071873027.db2.gz RJGVIALFGNQXHG-CBLPJQPBSA-N -1 0 423.444 -1.697 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n(C(C)(C)C)n1 ZINC001192735778 1071872976 /nfs/dbraw/zinc/87/29/76/1071872976.db2.gz RJGVIALFGNQXHG-SKENRDBWSA-N -1 0 423.444 -1.697 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192756414 1071873204 /nfs/dbraw/zinc/87/32/04/1071873204.db2.gz PZRLNUCBEFSANO-UHFFFAOYSA-N -1 0 402.385 -2.854 20 0 HAADRM C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001192756454 1071873169 /nfs/dbraw/zinc/87/31/69/1071873169.db2.gz RQHBELCBSWGFNM-LKGZJPOGSA-N -1 0 421.424 -1.728 20 0 HAADRM CC(C)(C)c1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001192803379 1071872999 /nfs/dbraw/zinc/87/29/99/1071872999.db2.gz LPCJZEPKXFFZHX-MNNAQAQOSA-N -1 0 421.428 -1.869 20 0 HAADRM CC(C)(C)c1cnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001192803381 1071873802 /nfs/dbraw/zinc/87/38/02/1071873802.db2.gz LPCJZEPKXFFZHX-PDOXLSOOSA-N -1 0 421.428 -1.869 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc(Cl)n1 ZINC001192822795 1071873546 /nfs/dbraw/zinc/87/35/46/1071873546.db2.gz UHHZOZHPZUNBDL-UEWQFTGXSA-N -1 0 413.792 -2.205 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc(Cl)n1 ZINC001192822796 1071873906 /nfs/dbraw/zinc/87/39/06/1071873906.db2.gz UHHZOZHPZUNBDL-VCMDJLOCSA-N -1 0 413.792 -2.205 20 0 HAADRM Cn1nc(Cl)cc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001192924099 1071873675 /nfs/dbraw/zinc/87/36/75/1071873675.db2.gz BWJAFORZZZKDLS-DCEZOGAWSA-N -1 0 401.781 -2.570 20 0 HAADRM Cn1nc(Cl)cc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001192924116 1071873701 /nfs/dbraw/zinc/87/37/01/1071873701.db2.gz BWJAFORZZZKDLS-NAHXDTDZSA-N -1 0 401.781 -2.570 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccnc(C2CC2)c1 ZINC001193019547 1071873663 /nfs/dbraw/zinc/87/36/63/1071873663.db2.gz JTDWJSUOVWWKCD-FTQJZPFOSA-N -1 0 404.397 -1.684 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccnc(C2CC2)c1 ZINC001193019550 1071873631 /nfs/dbraw/zinc/87/36/31/1071873631.db2.gz JTDWJSUOVWWKCD-HVNMYJMUSA-N -1 0 404.397 -1.684 20 0 HAADRM CCOC(=O)C(C)(C)S(=O)(=O)[N-][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001193086494 1071873714 /nfs/dbraw/zinc/87/37/14/1071873714.db2.gz XWVKKXQRXDCDQL-HJQYOEGKSA-N -1 0 421.428 -2.171 20 0 HAADRM CNc1nc(SC)ncc1C(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001193097155 1071874553 /nfs/dbraw/zinc/87/45/53/1071874553.db2.gz FXLCEOHITZYCOB-UHFFFAOYSA-N -1 0 402.418 -1.049 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193208269 1071874488 /nfs/dbraw/zinc/87/44/88/1071874488.db2.gz UGPQBPPMWSYTQF-BAYCTPFLSA-N -1 0 406.417 -2.486 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193208274 1071874350 /nfs/dbraw/zinc/87/43/50/1071874350.db2.gz UGPQBPPMWSYTQF-TWBCTODHSA-N -1 0 406.417 -2.486 20 0 HAADRM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001193213184 1071874409 /nfs/dbraw/zinc/87/44/09/1071874409.db2.gz JYIYJVQUWXWWNS-COOPQGGSSA-N -1 0 414.440 -1.037 20 0 HAADRM O=S(=O)(C[C@H]1CCCO1)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001193213211 1071874287 /nfs/dbraw/zinc/87/42/87/1071874287.db2.gz JYIYJVQUWXWWNS-WNWFFLTNSA-N -1 0 414.440 -1.037 20 0 HAADRM Cc1cnc(Cl)nc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001193258029 1071875116 /nfs/dbraw/zinc/87/51/16/1071875116.db2.gz YXYNCUQKJHCVKV-DCEZOGAWSA-N -1 0 413.792 -2.205 20 0 HAADRM Cc1cnc(Cl)nc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001193258030 1071875156 /nfs/dbraw/zinc/87/51/56/1071875156.db2.gz YXYNCUQKJHCVKV-NAHXDTDZSA-N -1 0 413.792 -2.205 20 0 HAADRM CC(=O)C(=O)Oc1ccccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001193381498 1071875703 /nfs/dbraw/zinc/87/57/03/1071875703.db2.gz KHXMXXPRQSLRLP-UHFFFAOYSA-N -1 0 411.352 -1.109 20 0 HAADRM COC(=O)c1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001193416945 1071875830 /nfs/dbraw/zinc/87/58/30/1071875830.db2.gz SUANSQYAVGKUEB-GIBVNIFISA-N -1 0 422.368 -2.775 20 0 HAADRM COC(=O)c1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001193416956 1071875804 /nfs/dbraw/zinc/87/58/04/1071875804.db2.gz SUANSQYAVGKUEB-GOBQNSBTSA-N -1 0 422.368 -2.775 20 0 HAADRM CCCc1ncncc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001193456077 1071875796 /nfs/dbraw/zinc/87/57/96/1071875796.db2.gz ALBMSSINRLPNFM-CBLPJQPBSA-N -1 0 407.401 -2.214 20 0 HAADRM CCCc1ncncc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001193456080 1071875859 /nfs/dbraw/zinc/87/58/59/1071875859.db2.gz ALBMSSINRLPNFM-SKENRDBWSA-N -1 0 407.401 -2.214 20 0 HAADRM COc1nc(C)c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)s1 ZINC001193502520 1071875710 /nfs/dbraw/zinc/87/57/10/1071875710.db2.gz NKUREHWVEVWWDS-HUOUWLIASA-N -1 0 414.414 -2.183 20 0 HAADRM COc1nc(C)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)s1 ZINC001193502521 1071876582 /nfs/dbraw/zinc/87/65/82/1071876582.db2.gz NKUREHWVEVWWDS-UYEZSENVSA-N -1 0 414.414 -2.183 20 0 HAADRM CC(C)c1csc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001193520456 1071876390 /nfs/dbraw/zinc/87/63/90/1071876390.db2.gz NNLNEVGAGUAMPD-ACDNLYMZSA-N -1 0 412.442 -1.377 20 0 HAADRM CC(C)c1csc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001193520457 1071876537 /nfs/dbraw/zinc/87/65/37/1071876537.db2.gz NNLNEVGAGUAMPD-RGXSPZPFSA-N -1 0 412.442 -1.377 20 0 HAADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001193604504 1071876560 /nfs/dbraw/zinc/87/65/60/1071876560.db2.gz PMIAHOSVEKKPGC-GZBLMMOJSA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001193610398 1071876473 /nfs/dbraw/zinc/87/64/73/1071876473.db2.gz PMIAHOSVEKKPGC-MRLBHPIUSA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1ccnc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001193628058 1071876416 /nfs/dbraw/zinc/87/64/16/1071876416.db2.gz IIYSPTMKINFVAR-JGKVKWKGSA-N -1 0 403.391 -3.675 20 0 HAADRM Cn1ccnc1S(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001193628059 1071876431 /nfs/dbraw/zinc/87/64/31/1071876431.db2.gz IIYSPTMKINFVAR-OKNNCHMLSA-N -1 0 403.391 -3.675 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccnc(C(F)F)c1 ZINC001193662285 1071877038 /nfs/dbraw/zinc/87/70/38/1071877038.db2.gz JWDBERLFHKUAHR-ACDNLYMZSA-N -1 0 414.339 -1.624 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccnc(C(F)F)c1 ZINC001193662299 1071877016 /nfs/dbraw/zinc/87/70/16/1071877016.db2.gz JWDBERLFHKUAHR-RGXSPZPFSA-N -1 0 414.339 -1.624 20 0 HAADRM CN(C)c1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001193817673 1071877667 /nfs/dbraw/zinc/87/76/67/1071877667.db2.gz QONHWEXHYRUQQE-CBLPJQPBSA-N -1 0 407.401 -2.496 20 0 HAADRM CN(C)c1cncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001193817674 1071877691 /nfs/dbraw/zinc/87/76/91/1071877691.db2.gz QONHWEXHYRUQQE-SKENRDBWSA-N -1 0 407.401 -2.496 20 0 HAADRM CC(=O)c1nc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1C ZINC001193841527 1071877163 /nfs/dbraw/zinc/87/71/63/1071877163.db2.gz MRTCULNZCAKZDS-ACDNLYMZSA-N -1 0 409.373 -3.021 20 0 HAADRM CC(=O)c1nc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1C ZINC001193841535 1071877558 /nfs/dbraw/zinc/87/75/58/1071877558.db2.gz MRTCULNZCAKZDS-RGXSPZPFSA-N -1 0 409.373 -3.021 20 0 HAADRM CC(C)(C)c1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001194013878 1071877728 /nfs/dbraw/zinc/87/77/28/1071877728.db2.gz QPRGDONUBJFVNK-CJJWORHMSA-N -1 0 421.428 -1.869 20 0 HAADRM CC(C)(C)c1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001194013879 1071877694 /nfs/dbraw/zinc/87/76/94/1071877694.db2.gz QPRGDONUBJFVNK-VDWIVTDKSA-N -1 0 421.428 -1.869 20 0 HAADRM CN(C=O)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001194023930 1071877719 /nfs/dbraw/zinc/87/77/19/1071877719.db2.gz DTBCEORMABYCAY-FTQJZPFOSA-N -1 0 420.396 -2.364 20 0 HAADRM CN(C=O)c1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001194023931 1071877703 /nfs/dbraw/zinc/87/77/03/1071877703.db2.gz DTBCEORMABYCAY-HVNMYJMUSA-N -1 0 420.396 -2.364 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194043546 1071877615 /nfs/dbraw/zinc/87/76/15/1071877615.db2.gz AZINSHDSSMHPKI-UHFFFAOYSA-N -1 0 424.794 -1.827 20 0 HAADRM CSc1cncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001194100916 1071878288 /nfs/dbraw/zinc/87/82/88/1071878288.db2.gz GHEBZZPFOVBGFX-CJJWORHMSA-N -1 0 410.426 -1.840 20 0 HAADRM CSc1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001194100917 1071878237 /nfs/dbraw/zinc/87/82/37/1071878237.db2.gz GHEBZZPFOVBGFX-VDWIVTDKSA-N -1 0 410.426 -1.840 20 0 HAADRM CS(=O)(=O)c1cncc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001194121270 1071877655 /nfs/dbraw/zinc/87/76/55/1071877655.db2.gz JQHJZBFHPFFMFB-UHFFFAOYSA-N -1 0 404.386 -1.804 20 0 HAADRM CN(C)S(=O)(=O)c1ccccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001194169862 1071878278 /nfs/dbraw/zinc/87/82/78/1071878278.db2.gz ZWCXWJYUFFYRCN-UHFFFAOYSA-N -1 0 404.430 -1.052 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc(C2CC2)cc1 ZINC001194183539 1071878181 /nfs/dbraw/zinc/87/81/81/1071878181.db2.gz QSHGRQMCXCKEFU-PAURTPPISA-N -1 0 403.409 -1.079 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc(C2CC2)cc1 ZINC001194183540 1071878340 /nfs/dbraw/zinc/87/83/40/1071878340.db2.gz QSHGRQMCXCKEFU-UTGUJQJDSA-N -1 0 403.409 -1.079 20 0 HAADRM Cn1[n-]c(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1=O ZINC001194196206 1071878270 /nfs/dbraw/zinc/87/82/70/1071878270.db2.gz RJNFJIBNKXUYGX-OUCADQQQSA-N -1 0 412.468 -1.140 20 0 HAADRM Cn1[n-]c(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1=O ZINC001194196208 1071878295 /nfs/dbraw/zinc/87/82/95/1071878295.db2.gz RJNFJIBNKXUYGX-YRGRVCCFSA-N -1 0 412.468 -1.140 20 0 HAADRM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(=O)n(C)[n-]1)C(=O)NCC(N)=O ZINC001194201328 1071878225 /nfs/dbraw/zinc/87/82/25/1071878225.db2.gz ZGHSTIZMHQVYMX-AAEUAGOBSA-N -1 0 408.459 -1.137 20 0 HAADRM CSc1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1C ZINC001194339230 1071878257 /nfs/dbraw/zinc/87/82/57/1071878257.db2.gz MHAVHDGDTDRRFH-GIBVNIFISA-N -1 0 424.453 -1.531 20 0 HAADRM CSc1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1C ZINC001194339231 1071878915 /nfs/dbraw/zinc/87/89/15/1071878915.db2.gz MHAVHDGDTDRRFH-GOBQNSBTSA-N -1 0 424.453 -1.531 20 0 HAADRM CS(=O)(=O)c1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1F ZINC001194354074 1071878361 /nfs/dbraw/zinc/87/83/61/1071878361.db2.gz KANOBXRPHGSALZ-UHFFFAOYSA-N -1 0 421.388 -1.060 20 0 HAADRM CCOc1c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cnn1C ZINC001194382740 1071878941 /nfs/dbraw/zinc/87/89/41/1071878941.db2.gz ZTIYPUBERCZLDJ-ACDNLYMZSA-N -1 0 411.389 -2.824 20 0 HAADRM CCOc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cnn1C ZINC001194382746 1071878925 /nfs/dbraw/zinc/87/89/25/1071878925.db2.gz ZTIYPUBERCZLDJ-RGXSPZPFSA-N -1 0 411.389 -2.824 20 0 HAADRM Cn1nc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1Br ZINC001194425080 1071878929 /nfs/dbraw/zinc/87/89/29/1071878929.db2.gz UTXOQXYLYVYVGR-UHFFFAOYSA-N -1 0 408.194 -1.107 20 0 HAADRM CCOc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cnn1 ZINC001194464132 1071878886 /nfs/dbraw/zinc/87/88/86/1071878886.db2.gz RIPUWGNXEVBOJU-BCPMIOLYSA-N -1 0 409.373 -2.768 20 0 HAADRM CCOc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cnn1 ZINC001194464133 1071878904 /nfs/dbraw/zinc/87/89/04/1071878904.db2.gz RIPUWGNXEVBOJU-SDAAFIMUSA-N -1 0 409.373 -2.768 20 0 HAADRM CCn1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1=O ZINC001194481981 1071878960 /nfs/dbraw/zinc/87/89/60/1071878960.db2.gz CQIDELNBEXSVGO-GIBVNIFISA-N -1 0 408.385 -2.775 20 0 HAADRM CCn1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1=O ZINC001194481989 1071878872 /nfs/dbraw/zinc/87/88/72/1071878872.db2.gz CQIDELNBEXSVGO-GOBQNSBTSA-N -1 0 408.385 -2.775 20 0 HAADRM COCCn1cccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1=O ZINC001194486218 1071878937 /nfs/dbraw/zinc/87/89/37/1071878937.db2.gz DMUKMHMMDAUTAJ-UHFFFAOYSA-N -1 0 400.373 -1.795 20 0 HAADRM COc1ccc(OC(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001194562729 1071879602 /nfs/dbraw/zinc/87/96/02/1071879602.db2.gz UVLNBKJXHRAALF-SYLRKERUSA-N -1 0 409.369 -1.589 20 0 HAADRM COc1ccc(OC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001194562735 1071879374 /nfs/dbraw/zinc/87/93/74/1071879374.db2.gz UVLNBKJXHRAALF-VEGXAWMVSA-N -1 0 409.369 -1.589 20 0 HAADRM COCCn1cncc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001194658722 1071879443 /nfs/dbraw/zinc/87/94/43/1071879443.db2.gz TUIOKNVNBNWOAP-CJJWORHMSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1cncc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001194658726 1071879394 /nfs/dbraw/zinc/87/93/94/1071879394.db2.gz TUIOKNVNBNWOAP-VDWIVTDKSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1cnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001194676859 1071879480 /nfs/dbraw/zinc/87/94/80/1071879480.db2.gz XTWRWUBRYBTFPN-CJJWORHMSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001194676860 1071879356 /nfs/dbraw/zinc/87/93/56/1071879356.db2.gz XTWRWUBRYBTFPN-VDWIVTDKSA-N -1 0 411.389 -3.114 20 0 HAADRM CS(=O)(=O)c1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccn1 ZINC001194679518 1071879578 /nfs/dbraw/zinc/87/95/78/1071879578.db2.gz HCGVQHNAQUYGHN-UHFFFAOYSA-N -1 0 404.386 -1.804 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194758925 1071880268 /nfs/dbraw/zinc/88/02/68/1071880268.db2.gz DIIDHDDTDBXOJE-SDBHATRESA-N -1 0 418.428 -2.153 20 0 HAADRM CC(C)(C)n1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001194809786 1071880128 /nfs/dbraw/zinc/88/01/28/1071880128.db2.gz ATHBBCJBHWCQIJ-CJJWORHMSA-N -1 0 409.417 -2.005 20 0 HAADRM CC(C)(C)n1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001194809789 1071880170 /nfs/dbraw/zinc/88/01/70/1071880170.db2.gz ATHBBCJBHWCQIJ-VDWIVTDKSA-N -1 0 409.417 -2.005 20 0 HAADRM Cc1cc(Cl)c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001194903972 1071880860 /nfs/dbraw/zinc/88/08/60/1071880860.db2.gz UIMAQWXXBUDDTF-CJJWORHMSA-N -1 0 412.804 -1.600 20 0 HAADRM Cc1cc(Cl)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001194903976 1071880784 /nfs/dbraw/zinc/88/07/84/1071880784.db2.gz UIMAQWXXBUDDTF-VDWIVTDKSA-N -1 0 412.804 -1.600 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001194949216 1071880759 /nfs/dbraw/zinc/88/07/59/1071880759.db2.gz DNNFQXAHDXHWKN-GRYCIOLGSA-N -1 0 419.305 -1.047 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001194949221 1071880772 /nfs/dbraw/zinc/88/07/72/1071880772.db2.gz DNNFQXAHDXHWKN-SDDRHHMPSA-N -1 0 419.305 -1.047 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001194949223 1071880805 /nfs/dbraw/zinc/88/08/05/1071880805.db2.gz DNNFQXAHDXHWKN-SRVKXCTJSA-N -1 0 419.305 -1.047 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001194949225 1071880732 /nfs/dbraw/zinc/88/07/32/1071880732.db2.gz DNNFQXAHDXHWKN-WOPDTQHZSA-N -1 0 419.305 -1.047 20 0 HAADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001195041754 1071880845 /nfs/dbraw/zinc/88/08/45/1071880845.db2.gz KUAYLYKDNWKMLO-IDTAVKCVSA-N -1 0 422.536 -1.327 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn(C)c1=O ZINC001195120907 1071881380 /nfs/dbraw/zinc/88/13/80/1071881380.db2.gz SNPATZRCEPSQLN-GIBVNIFISA-N -1 0 408.385 -2.949 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn(C)c1=O ZINC001195120912 1071881301 /nfs/dbraw/zinc/88/13/01/1071881301.db2.gz SNPATZRCEPSQLN-GOBQNSBTSA-N -1 0 408.385 -2.949 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195269372 1071881445 /nfs/dbraw/zinc/88/14/45/1071881445.db2.gz YUOTWOCNVOTERT-UHFFFAOYSA-N -1 0 408.339 -2.341 20 0 HAADRM COc1ccccc1OC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001195291141 1071881269 /nfs/dbraw/zinc/88/12/69/1071881269.db2.gz BHWBIIADITWVKH-SYLRKERUSA-N -1 0 409.369 -1.589 20 0 HAADRM COc1ccccc1OC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001195291142 1071881390 /nfs/dbraw/zinc/88/13/90/1071881390.db2.gz BHWBIIADITWVKH-VEGXAWMVSA-N -1 0 409.369 -1.589 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1c(F)cncc1Cl ZINC001195482863 1071881248 /nfs/dbraw/zinc/88/12/48/1071881248.db2.gz CPQRHGYFZPBACO-SWRBICTNSA-N -1 0 416.767 -1.769 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1c(F)cncc1Cl ZINC001195482868 1071882053 /nfs/dbraw/zinc/88/20/53/1071882053.db2.gz CPQRHGYFZPBACO-ZYJZCQHASA-N -1 0 416.767 -1.769 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccnc1C1CC1 ZINC001195569682 1071883160 /nfs/dbraw/zinc/88/31/60/1071883160.db2.gz BKPCPIOUCTUTMW-DECHUDPFSA-N -1 0 404.397 -1.684 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccnc1C1CC1 ZINC001195569683 1071883179 /nfs/dbraw/zinc/88/31/79/1071883179.db2.gz BKPCPIOUCTUTMW-RFNSYMJRSA-N -1 0 404.397 -1.684 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc(C2CC2)cn1 ZINC001195624559 1071883328 /nfs/dbraw/zinc/88/33/28/1071883328.db2.gz NBBQGSAJZSMRBJ-FTQJZPFOSA-N -1 0 404.397 -1.684 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc(C2CC2)cn1 ZINC001195624560 1071883218 /nfs/dbraw/zinc/88/32/18/1071883218.db2.gz NBBQGSAJZSMRBJ-HVNMYJMUSA-N -1 0 404.397 -1.684 20 0 HAADRM CCOC(=O)CS(=O)(=O)[N-]c1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001195939029 1071883802 /nfs/dbraw/zinc/88/38/02/1071883802.db2.gz LBCFIZBGIMTZIU-ZRFIDHNTSA-N -1 0 408.389 -3.102 20 0 HAADRM CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001195939295 1071883688 /nfs/dbraw/zinc/88/36/88/1071883688.db2.gz QESMRWNKTXPAFO-IVZWLZJFSA-N -1 0 401.401 -1.228 20 0 HAADRM CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001195939368 1071883620 /nfs/dbraw/zinc/88/36/20/1071883620.db2.gz UTTFXHSGHIHKNQ-ATEUNZGCSA-N -1 0 401.401 -1.228 20 0 HAADRM CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001195941863 1071883678 /nfs/dbraw/zinc/88/36/78/1071883678.db2.gz JKVOGOCPGYHWSH-SDBHATRESA-N -1 0 416.412 -1.652 20 0 HAADRM CS(=O)(=O)Cc1ncccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001196049141 1071884540 /nfs/dbraw/zinc/88/45/40/1071884540.db2.gz RDMLEQGDVKIEEA-UHFFFAOYSA-N -1 0 418.413 -1.663 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc(C(F)F)nc1 ZINC001196102327 1071884592 /nfs/dbraw/zinc/88/45/92/1071884592.db2.gz PHCIESNVNDRIAA-ACDNLYMZSA-N -1 0 414.339 -1.624 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc(C(F)F)nc1 ZINC001196102328 1071884532 /nfs/dbraw/zinc/88/45/32/1071884532.db2.gz PHCIESNVNDRIAA-RGXSPZPFSA-N -1 0 414.339 -1.624 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(N2CCOCC2=O)cc1 ZINC001196249421 1071885173 /nfs/dbraw/zinc/88/51/73/1071885173.db2.gz BFMKQPXJQBEIAF-UHFFFAOYSA-N -1 0 424.395 -1.240 20 0 HAADRM CC(C)(C)n1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001196329236 1071885795 /nfs/dbraw/zinc/88/57/95/1071885795.db2.gz JEZYDCVDVGQXIB-CJJWORHMSA-N -1 0 409.417 -2.005 20 0 HAADRM CC(C)(C)n1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001196329238 1071885825 /nfs/dbraw/zinc/88/58/25/1071885825.db2.gz JEZYDCVDVGQXIB-VDWIVTDKSA-N -1 0 409.417 -2.005 20 0 HAADRM CS(=O)(=O)c1cccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)n1 ZINC001196404713 1071885844 /nfs/dbraw/zinc/88/58/44/1071885844.db2.gz XQHAEDKVWKQZCO-UHFFFAOYSA-N -1 0 404.386 -1.804 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1nc(Br)c[nH]c1=O ZINC001196491953 1071885891 /nfs/dbraw/zinc/88/58/91/1071885891.db2.gz YTQLKNYRACCMAC-UHFFFAOYSA-N -1 0 422.177 -1.757 20 0 HAADRM CS(=O)(=O)c1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)nc1 ZINC001196700360 1071886465 /nfs/dbraw/zinc/88/64/65/1071886465.db2.gz DPCYMKSRTSIBQT-UHFFFAOYSA-N -1 0 404.386 -1.804 20 0 HAADRM C[C@@H]1O[C@@H](OCCNC(=O)c2sccc2[N-]S(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1O ZINC001196741362 1071886491 /nfs/dbraw/zinc/88/64/91/1071886491.db2.gz UODPBVCMUUOJSD-XXBAHBGESA-N -1 0 410.470 -1.307 20 0 HAADRM Cc1c(F)ccc(F)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001196753552 1071886458 /nfs/dbraw/zinc/88/64/58/1071886458.db2.gz BEKIBRFPZQCQAF-MNNAQAQOSA-N -1 0 413.351 -1.370 20 0 HAADRM Cc1c(F)ccc(F)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001196753553 1071886446 /nfs/dbraw/zinc/88/64/46/1071886446.db2.gz BEKIBRFPZQCQAF-PDOXLSOOSA-N -1 0 413.351 -1.370 20 0 HAADRM CCCOc1cccnc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001196940751 1071886479 /nfs/dbraw/zinc/88/64/79/1071886479.db2.gz GSESIQWOKKYYMS-DECHUDPFSA-N -1 0 422.412 -1.773 20 0 HAADRM CCCOc1cccnc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001196940757 1071886580 /nfs/dbraw/zinc/88/65/80/1071886580.db2.gz GSESIQWOKKYYMS-RFNSYMJRSA-N -1 0 422.412 -1.773 20 0 HAADRM CC(C)(C)c1nc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)no1 ZINC001196998227 1071886515 /nfs/dbraw/zinc/88/65/15/1071886515.db2.gz VHDKQFNUXNEYCZ-HUOUWLIASA-N -1 0 411.389 -2.276 20 0 HAADRM CC(C)(C)c1nc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)no1 ZINC001196998234 1071886535 /nfs/dbraw/zinc/88/65/35/1071886535.db2.gz VHDKQFNUXNEYCZ-UYEZSENVSA-N -1 0 411.389 -2.276 20 0 HAADRM COC(=O)c1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccn1 ZINC001197056007 1071887002 /nfs/dbraw/zinc/88/70/02/1071887002.db2.gz ZADBRWLPXCZXSH-GIBVNIFISA-N -1 0 422.368 -2.775 20 0 HAADRM COC(=O)c1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccn1 ZINC001197056008 1071887123 /nfs/dbraw/zinc/88/71/23/1071887123.db2.gz ZADBRWLPXCZXSH-GOBQNSBTSA-N -1 0 422.368 -2.775 20 0 HAADRM CCOc1ccc(C)c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001197151351 1071887043 /nfs/dbraw/zinc/88/70/43/1071887043.db2.gz ADDRSUHZDRXWGM-PAURTPPISA-N -1 0 421.424 -1.249 20 0 HAADRM CCOc1ccc(C)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001197151352 1071886927 /nfs/dbraw/zinc/88/69/27/1071886927.db2.gz ADDRSUHZDRXWGM-UTGUJQJDSA-N -1 0 421.424 -1.249 20 0 HAADRM COc1ccnc(F)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001197153094 1071887046 /nfs/dbraw/zinc/88/70/46/1071887046.db2.gz WASGPBQLUFYOCD-ABDJVACUSA-N -1 0 412.348 -2.414 20 0 HAADRM COc1ccnc(F)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001197153101 1071887020 /nfs/dbraw/zinc/88/70/20/1071887020.db2.gz WASGPBQLUFYOCD-RRDYINPDSA-N -1 0 412.348 -2.414 20 0 HAADRM Cc1cnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1Cl ZINC001197299041 1071887714 /nfs/dbraw/zinc/88/77/14/1071887714.db2.gz YMIFZXZRXKMEHU-CJJWORHMSA-N -1 0 412.804 -1.600 20 0 HAADRM Cc1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1Cl ZINC001197299042 1071887658 /nfs/dbraw/zinc/88/76/58/1071887658.db2.gz YMIFZXZRXKMEHU-VDWIVTDKSA-N -1 0 412.804 -1.600 20 0 HAADRM Cc1noc(C(C)C)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001197363151 1071887627 /nfs/dbraw/zinc/88/76/27/1071887627.db2.gz ZYKCIKMPBQEQBW-JSCYOIMZSA-N -1 0 410.401 -1.537 20 0 HAADRM Cc1noc(C(C)C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001197363152 1071887680 /nfs/dbraw/zinc/88/76/80/1071887680.db2.gz ZYKCIKMPBQEQBW-RDROLGDGSA-N -1 0 410.401 -1.537 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197421713 1071888190 /nfs/dbraw/zinc/88/81/90/1071888190.db2.gz GOEUGOCHKWQYLB-SDBHATRESA-N -1 0 413.412 -2.070 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nn1C1CCC1 ZINC001197444741 1071887744 /nfs/dbraw/zinc/88/77/44/1071887744.db2.gz UNDFCNFACQPZBZ-FTQJZPFOSA-N -1 0 421.428 -1.727 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nn1C1CCC1 ZINC001197444742 1071887647 /nfs/dbraw/zinc/88/76/47/1071887647.db2.gz UNDFCNFACQPZBZ-HVNMYJMUSA-N -1 0 421.428 -1.727 20 0 HAADRM COCCn1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001197481502 1071888261 /nfs/dbraw/zinc/88/82/61/1071888261.db2.gz JJYDUBGRXWRZGC-CJJWORHMSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001197481508 1071888264 /nfs/dbraw/zinc/88/82/64/1071888264.db2.gz JJYDUBGRXWRZGC-VDWIVTDKSA-N -1 0 411.389 -3.114 20 0 HAADRM CCOc1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001197622041 1071888210 /nfs/dbraw/zinc/88/82/10/1071888210.db2.gz GURKCSWWWRGTDU-CBLPJQPBSA-N -1 0 408.385 -2.163 20 0 HAADRM CCOc1cncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001197622042 1071888242 /nfs/dbraw/zinc/88/82/42/1071888242.db2.gz GURKCSWWWRGTDU-SKENRDBWSA-N -1 0 408.385 -2.163 20 0 HAADRM COCCOc1ncccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001197626578 1071888280 /nfs/dbraw/zinc/88/82/80/1071888280.db2.gz ULUALXXBDQEXST-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM COCCOc1cccnc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001197675947 1071888848 /nfs/dbraw/zinc/88/88/48/1071888848.db2.gz PTHAVRHBDXHHCP-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM COCCn1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cnc1=O ZINC001197698038 1071888855 /nfs/dbraw/zinc/88/88/55/1071888855.db2.gz CHKZMVREKLKILJ-UHFFFAOYSA-N -1 0 401.361 -2.400 20 0 HAADRM COCCn1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cnc1=O ZINC001197712742 1071888895 /nfs/dbraw/zinc/88/88/95/1071888895.db2.gz MQJLNOVHOVHYSI-ZDUSSCGKSA-N -1 0 406.399 -1.455 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197783780 1071888858 /nfs/dbraw/zinc/88/88/58/1071888858.db2.gz XEVZMVQPJBZQOY-SDBHATRESA-N -1 0 413.412 -2.070 20 0 HAADRM COc1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(F)c1 ZINC001197819933 1071889566 /nfs/dbraw/zinc/88/95/66/1071889566.db2.gz MWZCIBJOLALOKF-BCPMIOLYSA-N -1 0 412.348 -2.414 20 0 HAADRM COc1cnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(F)c1 ZINC001197819935 1071889478 /nfs/dbraw/zinc/88/94/78/1071889478.db2.gz MWZCIBJOLALOKF-SDAAFIMUSA-N -1 0 412.348 -2.414 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc(C(F)F)c1 ZINC001197835320 1071888837 /nfs/dbraw/zinc/88/88/37/1071888837.db2.gz IVFGPVIBQRGSDN-GIBVNIFISA-N -1 0 413.351 -1.019 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc(C(F)F)c1 ZINC001197835321 1071888800 /nfs/dbraw/zinc/88/88/00/1071888800.db2.gz IVFGPVIBQRGSDN-GOBQNSBTSA-N -1 0 413.351 -1.019 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnccc1C1CC1 ZINC001197860802 1071889517 /nfs/dbraw/zinc/88/95/17/1071889517.db2.gz ITRVFFVRVXVTHV-FTQJZPFOSA-N -1 0 404.397 -1.684 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnccc1C1CC1 ZINC001197860803 1071889422 /nfs/dbraw/zinc/88/94/22/1071889422.db2.gz ITRVFFVRVXVTHV-HVNMYJMUSA-N -1 0 404.397 -1.684 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cccc(C2CCC2)n1 ZINC001197878392 1071889558 /nfs/dbraw/zinc/88/95/58/1071889558.db2.gz DUQVBQHKZPSUOJ-PAURTPPISA-N -1 0 418.424 -1.294 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cccc(C2CCC2)n1 ZINC001197878393 1071889440 /nfs/dbraw/zinc/88/94/40/1071889440.db2.gz DUQVBQHKZPSUOJ-UTGUJQJDSA-N -1 0 418.424 -1.294 20 0 HAADRM Cc1ccnc(S(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001197964389 1071889531 /nfs/dbraw/zinc/88/95/31/1071889531.db2.gz DKWHJSSVUOYIQP-PMXXHBEXSA-N -1 0 413.412 -1.902 20 0 HAADRM CCOc1cncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001197993189 1071889384 /nfs/dbraw/zinc/88/93/84/1071889384.db2.gz GPCQQQPQGCTPRL-BCPMIOLYSA-N -1 0 409.373 -2.768 20 0 HAADRM CCOc1cncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001197993190 1071889459 /nfs/dbraw/zinc/88/94/59/1071889459.db2.gz GPCQQQPQGCTPRL-SDAAFIMUSA-N -1 0 409.373 -2.768 20 0 HAADRM Cc1ccnc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001198033723 1071890098 /nfs/dbraw/zinc/89/00/98/1071890098.db2.gz DBYIACHRAYPLCQ-RGHQJQCBSA-N -1 0 414.414 -2.705 20 0 HAADRM Cc1ccnc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001198033724 1071890084 /nfs/dbraw/zinc/89/00/84/1071890084.db2.gz DBYIACHRAYPLCQ-YNVCDSSISA-N -1 0 414.414 -2.705 20 0 HAADRM CC(C)Oc1nccnc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001198064294 1071889993 /nfs/dbraw/zinc/88/99/93/1071889993.db2.gz QVINRKJKXKUCOC-BAYCTPFLSA-N -1 0 423.400 -2.379 20 0 HAADRM CC(C)Oc1nccnc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001198064295 1071890090 /nfs/dbraw/zinc/89/00/90/1071890090.db2.gz QVINRKJKXKUCOC-VICHIFQHSA-N -1 0 423.400 -2.379 20 0 HAADRM CN(C)c1cc(F)cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001198137615 1071890600 /nfs/dbraw/zinc/89/06/00/1071890600.db2.gz HBQUZLDDSHIBKD-FTQJZPFOSA-N -1 0 424.403 -1.752 20 0 HAADRM CN(C)c1cc(F)cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001198137617 1071890633 /nfs/dbraw/zinc/89/06/33/1071890633.db2.gz HBQUZLDDSHIBKD-HVNMYJMUSA-N -1 0 424.403 -1.752 20 0 HAADRM CN(C)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1 ZINC001198140222 1071890703 /nfs/dbraw/zinc/89/07/03/1071890703.db2.gz RIDPWNREXYIQSU-CBLPJQPBSA-N -1 0 407.401 -2.496 20 0 HAADRM CN(C)c1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1 ZINC001198140223 1071890638 /nfs/dbraw/zinc/89/06/38/1071890638.db2.gz RIDPWNREXYIQSU-SKENRDBWSA-N -1 0 407.401 -2.496 20 0 HAADRM CN1CCN(c2cnccc2C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)CC1 ZINC001198144807 1071890739 /nfs/dbraw/zinc/89/07/39/1071890739.db2.gz UNHYGVBAHIHFFM-UHFFFAOYSA-N -1 0 424.443 -1.456 20 0 HAADRM CN(C)c1cnccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001198179063 1071890668 /nfs/dbraw/zinc/89/06/68/1071890668.db2.gz QCDASTRSRLPKPU-CBLPJQPBSA-N -1 0 407.401 -2.496 20 0 HAADRM CN(C)c1cnccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001198179064 1071890758 /nfs/dbraw/zinc/89/07/58/1071890758.db2.gz QCDASTRSRLPKPU-SKENRDBWSA-N -1 0 407.401 -2.496 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccncc1N1CCOCC1 ZINC001198199415 1071890723 /nfs/dbraw/zinc/89/07/23/1071890723.db2.gz MUZBUEJCWPFCIY-UHFFFAOYSA-N -1 0 411.400 -1.371 20 0 HAADRM CN(C)c1cccnc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001198235997 1071890646 /nfs/dbraw/zinc/89/06/46/1071890646.db2.gz LWGALNUAEAHETN-MNNAQAQOSA-N -1 0 407.401 -2.496 20 0 HAADRM CN(C)c1cccnc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001198235998 1071890678 /nfs/dbraw/zinc/89/06/78/1071890678.db2.gz LWGALNUAEAHETN-PDOXLSOOSA-N -1 0 407.401 -2.496 20 0 HAADRM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1 ZINC001198272835 1071890766 /nfs/dbraw/zinc/89/07/66/1071890766.db2.gz OODCEISHGSNUDK-SDBHATRESA-N -1 0 413.412 -1.902 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001198343569 1071891199 /nfs/dbraw/zinc/89/11/99/1071891199.db2.gz GKPNWMFBLSWXOH-LZQZFOIKSA-N -1 0 414.414 -2.705 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001198343571 1071891134 /nfs/dbraw/zinc/89/11/34/1071891134.db2.gz GKPNWMFBLSWXOH-OOCWMUITSA-N -1 0 414.414 -2.705 20 0 HAADRM Cc1cnc2ncc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)n2c1 ZINC001198400594 1071891163 /nfs/dbraw/zinc/89/11/63/1071891163.db2.gz LXJPCBXNKGQMEU-CJJWORHMSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1cnc2ncc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)n2c1 ZINC001198400595 1071891242 /nfs/dbraw/zinc/89/12/42/1071891242.db2.gz LXJPCBXNKGQMEU-VDWIVTDKSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1ncc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1C ZINC001198430457 1071891260 /nfs/dbraw/zinc/89/12/60/1071891260.db2.gz QTWCEWDOGJOWKW-NENRSDFPSA-N -1 0 417.418 -3.366 20 0 HAADRM Cc1ncc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1C ZINC001198430458 1071891278 /nfs/dbraw/zinc/89/12/78/1071891278.db2.gz QTWCEWDOGJOWKW-QVDPWDGTSA-N -1 0 417.418 -3.366 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc(N2CCCNC2=O)nc1 ZINC001198456020 1071891102 /nfs/dbraw/zinc/89/11/02/1071891102.db2.gz VWZUNCMEZWILEC-UHFFFAOYSA-N -1 0 424.399 -1.288 20 0 HAADRM Cn1c2ccc(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)cc2n(C)c1=O ZINC001198484973 1071891178 /nfs/dbraw/zinc/89/11/78/1071891178.db2.gz VNYNMEKCJIDLQE-UHFFFAOYSA-N -1 0 409.384 -1.413 20 0 HAADRM CC(C)Cn1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001198577641 1071891765 /nfs/dbraw/zinc/89/17/65/1071891765.db2.gz QYNJMNHJPFMSJN-CBLPJQPBSA-N -1 0 409.417 -2.104 20 0 HAADRM CC(C)Cn1cnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001198577642 1071891806 /nfs/dbraw/zinc/89/18/06/1071891806.db2.gz QYNJMNHJPFMSJN-SKENRDBWSA-N -1 0 409.417 -2.104 20 0 HAADRM Cn1c2ccccc2nc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1=O ZINC001198634435 1071891809 /nfs/dbraw/zinc/89/18/09/1071891809.db2.gz ZCCNSFAQHBRLRB-UHFFFAOYSA-N -1 0 407.368 -1.356 20 0 HAADRM COCCn1c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cccc1=O ZINC001198685199 1071891731 /nfs/dbraw/zinc/89/17/31/1071891731.db2.gz UOTZWMYBCWCXFJ-UHFFFAOYSA-N -1 0 400.373 -1.795 20 0 HAADRM Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001198756241 1071891846 /nfs/dbraw/zinc/89/18/46/1071891846.db2.gz MTRUNQXHWXGQKS-NSOMGTDFSA-N -1 0 418.384 -2.605 20 0 HAADRM Cc1nc2ncccn2c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001198756242 1071891870 /nfs/dbraw/zinc/89/18/70/1071891870.db2.gz MTRUNQXHWXGQKS-ZWQNNFRKSA-N -1 0 418.384 -2.605 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2c(c1)CCC2 ZINC001198789847 1071891785 /nfs/dbraw/zinc/89/17/85/1071891785.db2.gz VABSFWAYJZOEMX-PAURTPPISA-N -1 0 403.409 -1.468 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2c(c1)CCC2 ZINC001198789861 1071891754 /nfs/dbraw/zinc/89/17/54/1071891754.db2.gz VABSFWAYJZOEMX-UTGUJQJDSA-N -1 0 403.409 -1.468 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198811623 1071892293 /nfs/dbraw/zinc/89/22/93/1071892293.db2.gz YAZSWOPWPGZHKK-UHFFFAOYSA-N -1 0 401.397 -1.541 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198819557 1071892305 /nfs/dbraw/zinc/89/23/05/1071892305.db2.gz DAALFAQALSRENW-NSHDSACASA-N -1 0 412.424 -1.744 20 0 HAADRM COCCn1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1=O ZINC001198822399 1071892475 /nfs/dbraw/zinc/89/24/75/1071892475.db2.gz HSHBQBFLDRBVAP-UHFFFAOYSA-N -1 0 400.373 -1.795 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2c(c1)COC2 ZINC001198878204 1071892384 /nfs/dbraw/zinc/89/23/84/1071892384.db2.gz PNRCKTRXXYXJQD-FTQJZPFOSA-N -1 0 405.381 -1.926 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2c(c1)COC2 ZINC001198878210 1071892424 /nfs/dbraw/zinc/89/24/24/1071892424.db2.gz PNRCKTRXXYXJQD-HVNMYJMUSA-N -1 0 405.381 -1.926 20 0 HAADRM COCCOc1cncc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001198984120 1071892521 /nfs/dbraw/zinc/89/25/21/1071892521.db2.gz FVCKLYOVDBSRAV-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM Cn1ccc2cccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c21 ZINC001199032255 1071892413 /nfs/dbraw/zinc/89/24/13/1071892413.db2.gz YDUUROOKFHWJIJ-CRIQSBETSA-N -1 0 416.408 -1.465 20 0 HAADRM Cn1ccc2cccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c21 ZINC001199032261 1071892243 /nfs/dbraw/zinc/89/22/43/1071892243.db2.gz YDUUROOKFHWJIJ-PSDNQQDLSA-N -1 0 416.408 -1.465 20 0 HAADRM CC(C)Oc1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001199046950 1071892492 /nfs/dbraw/zinc/89/24/92/1071892492.db2.gz UKPNPRTWXNFQNQ-DECHUDPFSA-N -1 0 422.412 -1.774 20 0 HAADRM CC(C)Oc1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001199046955 1071892333 /nfs/dbraw/zinc/89/23/33/1071892333.db2.gz UKPNPRTWXNFQNQ-RFNSYMJRSA-N -1 0 422.412 -1.774 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n(CC(C)C)n1 ZINC001199094614 1071892395 /nfs/dbraw/zinc/89/23/95/1071892395.db2.gz YZSBEUIYNWFHDW-FTQJZPFOSA-N -1 0 423.444 -1.796 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n(CC(C)C)n1 ZINC001199094615 1071893170 /nfs/dbraw/zinc/89/31/70/1071893170.db2.gz YZSBEUIYNWFHDW-HVNMYJMUSA-N -1 0 423.444 -1.796 20 0 HAADRM CC(C)Oc1cnccc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001199160287 1071893106 /nfs/dbraw/zinc/89/31/06/1071893106.db2.gz FVSZALLIVFFUEF-FTQJZPFOSA-N -1 0 422.412 -1.774 20 0 HAADRM CC(C)Oc1cnccc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001199160290 1071893157 /nfs/dbraw/zinc/89/31/57/1071893157.db2.gz FVSZALLIVFFUEF-HVNMYJMUSA-N -1 0 422.412 -1.774 20 0 HAADRM CC(C)Oc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccn1 ZINC001199211591 1071893087 /nfs/dbraw/zinc/89/30/87/1071893087.db2.gz BRLMFQAXTUYGPX-DECHUDPFSA-N -1 0 422.412 -1.774 20 0 HAADRM CC(C)Oc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccn1 ZINC001199211592 1071893075 /nfs/dbraw/zinc/89/30/75/1071893075.db2.gz BRLMFQAXTUYGPX-RFNSYMJRSA-N -1 0 422.412 -1.774 20 0 HAADRM COCCOc1ccnc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001199213300 1071893064 /nfs/dbraw/zinc/89/30/64/1071893064.db2.gz PEFHXGBVWQLAPU-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n(C(C)C)n1 ZINC001199224186 1071893111 /nfs/dbraw/zinc/89/31/11/1071893111.db2.gz OZZFKSBOJBRDKL-CBLPJQPBSA-N -1 0 409.417 -1.871 20 0 HAADRM Cc1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n(C(C)C)n1 ZINC001199224191 1071893092 /nfs/dbraw/zinc/89/30/92/1071893092.db2.gz OZZFKSBOJBRDKL-SKENRDBWSA-N -1 0 409.417 -1.871 20 0 HAADRM COCCOc1ccncc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001199231284 1071893042 /nfs/dbraw/zinc/89/30/42/1071893042.db2.gz IBOUNEPSDTWBBU-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM CCOc1ncc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001199234775 1071893003 /nfs/dbraw/zinc/89/30/03/1071893003.db2.gz OJIXHPQEQMLPDF-CDPPZIPSSA-N -1 0 409.373 -2.768 20 0 HAADRM CCOc1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001199234776 1071893127 /nfs/dbraw/zinc/89/31/27/1071893127.db2.gz OJIXHPQEQMLPDF-SANCVJEGSA-N -1 0 409.373 -2.768 20 0 HAADRM CC(C)Oc1cccnc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001199243353 1071893120 /nfs/dbraw/zinc/89/31/20/1071893120.db2.gz RWUUKXPLNLJNTJ-DECHUDPFSA-N -1 0 422.412 -1.774 20 0 HAADRM CC(C)Oc1cccnc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001199243355 1071893011 /nfs/dbraw/zinc/89/30/11/1071893011.db2.gz RWUUKXPLNLJNTJ-RFNSYMJRSA-N -1 0 422.412 -1.774 20 0 HAADRM CC(C)n1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cnc1=O ZINC001199249362 1071893743 /nfs/dbraw/zinc/89/37/43/1071893743.db2.gz RDORGWRVJHURKI-CJJWORHMSA-N -1 0 423.400 -2.819 20 0 HAADRM CC(C)n1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cnc1=O ZINC001199249367 1071893521 /nfs/dbraw/zinc/89/35/21/1071893521.db2.gz RDORGWRVJHURKI-VDWIVTDKSA-N -1 0 423.400 -2.819 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cncc(N2CCOCC2)c1 ZINC001199272658 1071893533 /nfs/dbraw/zinc/89/35/33/1071893533.db2.gz SXVRPDHSGCZVHT-UHFFFAOYSA-N -1 0 411.400 -1.371 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ncccc1N1CCOCC1 ZINC001199277468 1071893660 /nfs/dbraw/zinc/89/36/60/1071893660.db2.gz UQTRSKHTWRIORU-UHFFFAOYSA-N -1 0 411.400 -1.371 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc(C2CCC2)nc1 ZINC001199285281 1071893590 /nfs/dbraw/zinc/89/35/90/1071893590.db2.gz JLWWXAALZNSEHY-PAURTPPISA-N -1 0 418.424 -1.294 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc(C2CCC2)nc1 ZINC001199285298 1071893559 /nfs/dbraw/zinc/89/35/59/1071893559.db2.gz JLWWXAALZNSEHY-UTGUJQJDSA-N -1 0 418.424 -1.294 20 0 HAADRM CN1CCN(c2ccncc2C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)CC1 ZINC001199356599 1071893704 /nfs/dbraw/zinc/89/37/04/1071893704.db2.gz ZCQOOBPLJLVLCY-UHFFFAOYSA-N -1 0 424.443 -1.456 20 0 HAADRM COCCn1ccnc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001199410768 1071893600 /nfs/dbraw/zinc/89/36/00/1071893600.db2.gz NRSABXYXBDTOLX-ACDNLYMZSA-N -1 0 411.389 -3.114 20 0 HAADRM COCCn1ccnc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001199410780 1071893672 /nfs/dbraw/zinc/89/36/72/1071893672.db2.gz NRSABXYXBDTOLX-RGXSPZPFSA-N -1 0 411.389 -3.114 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1nccn1CC1CC1 ZINC001199453943 1071893763 /nfs/dbraw/zinc/89/37/63/1071893763.db2.gz FFPLKESSLKZLBB-GIBVNIFISA-N -1 0 407.401 -2.350 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1nccn1CC1CC1 ZINC001199453945 1071893546 /nfs/dbraw/zinc/89/35/46/1071893546.db2.gz FFPLKESSLKZLBB-GOBQNSBTSA-N -1 0 407.401 -2.350 20 0 HAADRM CC(C)n1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1=O ZINC001199496925 1071894426 /nfs/dbraw/zinc/89/44/26/1071894426.db2.gz IKXHNKCBFWYKON-DECHUDPFSA-N -1 0 422.412 -2.214 20 0 HAADRM CC(C)n1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1=O ZINC001199496927 1071894196 /nfs/dbraw/zinc/89/41/96/1071894196.db2.gz IKXHNKCBFWYKON-RFNSYMJRSA-N -1 0 422.412 -2.214 20 0 HAADRM CC(C)n1cc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)ccc1=O ZINC001199516579 1071894270 /nfs/dbraw/zinc/89/42/70/1071894270.db2.gz ZMUNZPIOAMLUCT-DECHUDPFSA-N -1 0 422.412 -2.214 20 0 HAADRM CC(C)n1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)ccc1=O ZINC001199516582 1071894317 /nfs/dbraw/zinc/89/43/17/1071894317.db2.gz ZMUNZPIOAMLUCT-RFNSYMJRSA-N -1 0 422.412 -2.214 20 0 HAADRM COCCOc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cn1 ZINC001199547945 1071894259 /nfs/dbraw/zinc/89/42/59/1071894259.db2.gz ZXNZIRQQTGUAJN-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cncn1CC1CCC1 ZINC001199611019 1071894279 /nfs/dbraw/zinc/89/42/79/1071894279.db2.gz ZGBOWIYCKUAPIC-FTQJZPFOSA-N -1 0 421.428 -1.960 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cncn1CC1CCC1 ZINC001199611023 1071894453 /nfs/dbraw/zinc/89/44/53/1071894453.db2.gz ZGBOWIYCKUAPIC-HVNMYJMUSA-N -1 0 421.428 -1.960 20 0 HAADRM COCCOc1cnccc1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001199626035 1071894326 /nfs/dbraw/zinc/89/43/26/1071894326.db2.gz ZNYQBOMQXLWKKL-UHFFFAOYSA-N -1 0 400.373 -1.183 20 0 HAADRM CCOc1nccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001199641580 1071894351 /nfs/dbraw/zinc/89/43/51/1071894351.db2.gz AQDUSEJCTKIYOO-CDPPZIPSSA-N -1 0 409.373 -2.768 20 0 HAADRM CCOc1nccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001199641582 1071894977 /nfs/dbraw/zinc/89/49/77/1071894977.db2.gz AQDUSEJCTKIYOO-SANCVJEGSA-N -1 0 409.373 -2.768 20 0 HAADRM Cc1c(Cl)onc1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001199676610 1071895133 /nfs/dbraw/zinc/89/51/33/1071895133.db2.gz KGPNTCXTTMMPDC-IQUTXCMISA-N -1 0 402.765 -2.007 20 0 HAADRM Cc1c(Cl)onc1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001199676612 1071895204 /nfs/dbraw/zinc/89/52/04/1071895204.db2.gz KGPNTCXTTMMPDC-PTFLPILLSA-N -1 0 402.765 -2.007 20 0 HAADRM COc1cc(C)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001199710548 1071895092 /nfs/dbraw/zinc/89/50/92/1071895092.db2.gz GAQGOLOBFHBLTP-MNNAQAQOSA-N -1 0 408.385 -2.245 20 0 HAADRM COc1cc(C)c(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001199710570 1071895022 /nfs/dbraw/zinc/89/50/22/1071895022.db2.gz GAQGOLOBFHBLTP-PDOXLSOOSA-N -1 0 408.385 -2.245 20 0 HAADRM COc1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c(C)c1 ZINC001199755413 1071894874 /nfs/dbraw/zinc/89/48/74/1071894874.db2.gz OYCCTJMVMCAPAL-MNNAQAQOSA-N -1 0 408.385 -2.245 20 0 HAADRM COc1cnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c(C)c1 ZINC001199755414 1071894916 /nfs/dbraw/zinc/89/49/16/1071894916.db2.gz OYCCTJMVMCAPAL-PDOXLSOOSA-N -1 0 408.385 -2.245 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnn2ccncc12 ZINC001199819921 1071895078 /nfs/dbraw/zinc/89/50/78/1071895078.db2.gz DOGRCNLGYMWMIP-CJJWORHMSA-N -1 0 404.357 -2.914 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnn2ccncc12 ZINC001199819931 1071894990 /nfs/dbraw/zinc/89/49/90/1071894990.db2.gz DOGRCNLGYMWMIP-VDWIVTDKSA-N -1 0 404.357 -2.914 20 0 HAADRM Cc1cn2c(ncc(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)c2=O)s1 ZINC001199825590 1071895151 /nfs/dbraw/zinc/89/51/51/1071895151.db2.gz LHMQMCHQPXHQIU-UHFFFAOYSA-N -1 0 413.397 -1.225 20 0 HAADRM Cc1ccn2c(c1)ncc(C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)c2=O ZINC001201247852 1071896614 /nfs/dbraw/zinc/89/66/14/1071896614.db2.gz IROKESAZSARKCT-UHFFFAOYSA-N -1 0 407.368 -1.287 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1ccc2nccn2c1 ZINC001201289902 1071896530 /nfs/dbraw/zinc/89/65/30/1071896530.db2.gz PWVUWKQQQFBAGN-MNNAQAQOSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1ccc2nccn2c1 ZINC001201289910 1071896372 /nfs/dbraw/zinc/89/63/72/1071896372.db2.gz PWVUWKQQQFBAGN-PDOXLSOOSA-N -1 0 403.369 -2.309 20 0 HAADRM Cn1ncc2c1cccc2C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001201305884 1071896236 /nfs/dbraw/zinc/89/62/36/1071896236.db2.gz IEZDXEAPPFCPJD-FTQJZPFOSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1ncc2c1cccc2C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001201305885 1071896457 /nfs/dbraw/zinc/89/64/57/1071896457.db2.gz IEZDXEAPPFCPJD-HVNMYJMUSA-N -1 0 417.396 -2.070 20 0 HAADRM Cn1cnc2cc(C(=O)n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)ccc2c1=O ZINC001201331490 1071896558 /nfs/dbraw/zinc/89/65/58/1071896558.db2.gz ZPTYCMCEZQJHHD-UHFFFAOYSA-N -1 0 407.368 -1.356 20 0 HAADRM Cc1nc2ccccn2c(=O)c1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001201353650 1071896636 /nfs/dbraw/zinc/89/66/36/1071896636.db2.gz REOOOJMMGDJKQQ-UHFFFAOYSA-N -1 0 407.368 -1.287 20 0 HAADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc2cccn2cn1 ZINC001201382222 1071896282 /nfs/dbraw/zinc/89/62/82/1071896282.db2.gz OJHVPALQLJICRJ-CBLPJQPBSA-N -1 0 403.369 -2.309 20 0 HAADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc2cccn2cn1 ZINC001201382223 1071896514 /nfs/dbraw/zinc/89/65/14/1071896514.db2.gz OJHVPALQLJICRJ-SKENRDBWSA-N -1 0 403.369 -2.309 20 0 HAADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001201710569 1071897266 /nfs/dbraw/zinc/89/72/66/1071897266.db2.gz UQAZTXDAPZPTKI-GRRRKWKPSA-N -1 0 412.461 -2.285 20 0 HAADRM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001201710570 1071897205 /nfs/dbraw/zinc/89/72/05/1071897205.db2.gz UQAZTXDAPZPTKI-PCEBWVJKSA-N -1 0 412.461 -2.285 20 0 HAADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001201710571 1071897340 /nfs/dbraw/zinc/89/73/40/1071897340.db2.gz UQAZTXDAPZPTKI-TXWLSFLZSA-N -1 0 412.461 -2.285 20 0 HAADRM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001201710572 1071897238 /nfs/dbraw/zinc/89/72/38/1071897238.db2.gz UQAZTXDAPZPTKI-ZRFFIENRSA-N -1 0 412.461 -2.285 20 0 HAADRM COC(=O)CCCS(=O)(=O)[N-]c1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001201905169 1071897749 /nfs/dbraw/zinc/89/77/49/1071897749.db2.gz IIHGDMPFJVRSGK-FRJWGUMJSA-N -1 0 422.416 -2.712 20 0 HAADRM CN(C)S(=O)(=O)c1cccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1 ZINC001203271426 1072238308 /nfs/dbraw/zinc/23/83/08/1072238308.db2.gz JRNOHRNSWIHYPB-UHFFFAOYSA-N -1 0 404.430 -1.052 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNS(=O)(=O)[C@@H]3COC[C@H]3O)ncnc1-2 ZINC001209343170 1072239417 /nfs/dbraw/zinc/23/94/17/1072239417.db2.gz NTFNOVNIJKKPPE-HTQZYQBOSA-N -1 0 421.277 -1.410 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(C(=O)N2CCOCC2)nc1 ZINC001210650494 1072239833 /nfs/dbraw/zinc/23/98/33/1072239833.db2.gz DZPKGYWOPRDJPG-UHFFFAOYSA-N -1 0 411.400 -1.435 20 0 HAADRM COC(=O)CNC(=O)c1ccc(-n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)cc1 ZINC001216455185 1072242331 /nfs/dbraw/zinc/24/23/31/1072242331.db2.gz YYIWFJAXVZMDHX-UHFFFAOYSA-N -1 0 412.384 -1.399 20 0 HAADRM O=c1cc(CO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc2n1CCCNC2 ZINC001217839971 1072242900 /nfs/dbraw/zinc/24/29/00/1072242900.db2.gz ANGJSXKGCCQBON-AWEZNQCLSA-N -1 0 402.473 -1.158 20 0 HAADRM O=c1cc(CO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc2n1CCCNC2 ZINC001217839983 1072242760 /nfs/dbraw/zinc/24/27/60/1072242760.db2.gz ANGJSXKGCCQBON-CQSZACIVSA-N -1 0 402.473 -1.158 20 0 HAADRM O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O[C@@H]1CC[NH2+]C1 ZINC001218038555 1072242801 /nfs/dbraw/zinc/24/28/01/1072242801.db2.gz MEBUFGAEOOSXMS-BAYCTPFLSA-N -1 0 417.315 -1.353 20 0 HAADRM O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O[C@@H]1CC[NH2+]C1 ZINC001218038556 1072243443 /nfs/dbraw/zinc/24/34/43/1072243443.db2.gz MEBUFGAEOOSXMS-UDTSGEQISA-N -1 0 417.315 -1.353 20 0 HAADRM O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1OC1C[NH2+]C1 ZINC001218050556 1072243529 /nfs/dbraw/zinc/24/35/29/1072243529.db2.gz VVKFPHGRHMIHAY-QYVSTXNMSA-N -1 0 403.288 -1.744 20 0 HAADRM O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1OC1C[NH2+]C1 ZINC001218050559 1072243606 /nfs/dbraw/zinc/24/36/06/1072243606.db2.gz VVKFPHGRHMIHAY-SQFXPHBZSA-N -1 0 403.288 -1.744 20 0 HAADRM O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O[C@H]1CC[NH2+]C1 ZINC001218180197 1072243562 /nfs/dbraw/zinc/24/35/62/1072243562.db2.gz MEBUFGAEOOSXMS-GCVBLCJJSA-N -1 0 417.315 -1.353 20 0 HAADRM O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O[C@H]1CC[NH2+]C1 ZINC001218180198 1072243514 /nfs/dbraw/zinc/24/35/14/1072243514.db2.gz MEBUFGAEOOSXMS-TWBCTODHSA-N -1 0 417.315 -1.353 20 0 HAADRM C[C@@H]1[NH2+]C[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O ZINC001218390749 1072243455 /nfs/dbraw/zinc/24/34/55/1072243455.db2.gz YHQCSHJCYNOCLF-KOAVEMOUSA-N -1 0 417.315 -1.355 20 0 HAADRM C[C@@H]1[NH2+]C[C@H]1O[C@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O ZINC001218390750 1072243551 /nfs/dbraw/zinc/24/35/51/1072243551.db2.gz YHQCSHJCYNOCLF-OOWVUDNISA-N -1 0 417.315 -1.355 20 0 HAADRM C[C@@H]1[NH2+]C[C@H]1O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O ZINC001218390751 1072243312 /nfs/dbraw/zinc/24/33/12/1072243312.db2.gz YHQCSHJCYNOCLF-QAOIKSKESA-N -1 0 417.315 -1.355 20 0 HAADRM C[C@@H]1[NH2+]C[C@@H]1O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c1nc[nH]c2=O ZINC001218390752 1072243598 /nfs/dbraw/zinc/24/35/98/1072243598.db2.gz YHQCSHJCYNOCLF-YECHIGJVSA-N -1 0 417.315 -1.355 20 0 HAADRM COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001218417104 1072243469 /nfs/dbraw/zinc/24/34/69/1072243469.db2.gz LEVGJVCCZXQTOL-HZGVNTEJSA-N -1 0 415.355 -1.798 20 0 HAADRM COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001218417105 1072243369 /nfs/dbraw/zinc/24/33/69/1072243369.db2.gz LEVGJVCCZXQTOL-IMTBSYHQSA-N -1 0 415.355 -1.798 20 0 HAADRM COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001218417106 1072244137 /nfs/dbraw/zinc/24/41/37/1072244137.db2.gz LEVGJVCCZXQTOL-MUWHJKNJSA-N -1 0 415.355 -1.798 20 0 HAADRM COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001218417107 1072244157 /nfs/dbraw/zinc/24/41/57/1072244157.db2.gz LEVGJVCCZXQTOL-RCOVLWMOSA-N -1 0 415.355 -1.798 20 0 HAADRM COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001218440188 1072243906 /nfs/dbraw/zinc/24/39/06/1072243906.db2.gz FMTCGMVZIFHWIT-ZCFIWIBFSA-N -1 0 409.288 -1.864 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H](N)CC(=O)OC1CCCCC1 ZINC001218602226 1072245685 /nfs/dbraw/zinc/24/56/85/1072245685.db2.gz VDXMNZZQVIWALX-QMMMGPOBSA-N -1 0 418.432 -1.058 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218603102 1072246156 /nfs/dbraw/zinc/24/61/56/1072246156.db2.gz UTFAOHCQXKZLSB-RXMQYKEDSA-N -1 0 408.418 -2.875 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218603103 1072246235 /nfs/dbraw/zinc/24/62/35/1072246235.db2.gz UTFAOHCQXKZLSB-YFKPBYRVSA-N -1 0 408.418 -2.875 20 0 HAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001218603670 1072246120 /nfs/dbraw/zinc/24/61/20/1072246120.db2.gz XVSABUPSNNYDIB-UHFFFAOYSA-N -1 0 404.405 -1.637 20 0 HAADRM O=C([O-])COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001219678298 1072257764 /nfs/dbraw/zinc/25/77/64/1072257764.db2.gz JTIYGZSEEVMDJS-UHFFFAOYSA-N -1 0 401.441 -1.120 20 0 HAADRM CCn1nnc2c1[C@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])CNC2 ZINC001220550931 1072270424 /nfs/dbraw/zinc/27/04/24/1072270424.db2.gz NNBDELAQWYIQER-NEPJUHHUSA-N -1 0 404.431 -1.474 20 0 HAADRM CCn1nnc2c1[C@@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])CNC2 ZINC001220550936 1072270463 /nfs/dbraw/zinc/27/04/63/1072270463.db2.gz NNBDELAQWYIQER-RYUDHWBXSA-N -1 0 404.431 -1.474 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)N[C@@H]3COC[C@H]3O)ncnc1-2 ZINC001221807884 1072283364 /nfs/dbraw/zinc/28/33/64/1072283364.db2.gz FYKMKQNMXMWFBL-HTQZYQBOSA-N -1 0 400.237 -1.030 20 0 HAADRM O=c1cc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc(N2CCOCC2)[nH]1 ZINC001226723656 1072286144 /nfs/dbraw/zinc/28/61/44/1072286144.db2.gz ZMMPPGZDHGRYSJ-GFCCVEGCSA-N -1 0 404.445 -1.014 20 0 HAADRM O=c1cc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc(N2CCOCC2)[nH]1 ZINC001226723660 1072285857 /nfs/dbraw/zinc/28/58/57/1072285857.db2.gz ZMMPPGZDHGRYSJ-LBPRGKRZSA-N -1 0 404.445 -1.014 20 0 HAADRM Cn1c2[n-]c(O[C@H](C[NH+]3CCOCC3)CS(=O)(=O)[O-])nc2c(=O)n(C)c1=O ZINC001229708797 1072287659 /nfs/dbraw/zinc/28/76/59/1072287659.db2.gz SDOKCCMZCXGZIY-SECBINFHSA-N -1 0 403.417 -2.072 20 0 HAADRM Cn1c2[n-]c(O[C@@H](C[NH+]3CCOCC3)CS(=O)(=O)[O-])nc2c(=O)n(C)c1=O ZINC001229708802 1072287639 /nfs/dbraw/zinc/28/76/39/1072287639.db2.gz SDOKCCMZCXGZIY-VIFPVBQESA-N -1 0 403.417 -2.072 20 0 HAADRM COc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCNCC2)cc1C(=O)[O-] ZINC001238122349 1072290964 /nfs/dbraw/zinc/29/09/64/1072290964.db2.gz IBIJTZLKFPNHMN-UHFFFAOYSA-N -1 0 407.470 -1.093 20 0 HAADRM O=C([O-])COc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001238122964 1072290881 /nfs/dbraw/zinc/29/08/81/1072290881.db2.gz MFHPMVIFSBHHHV-UHFFFAOYSA-N -1 0 407.470 -1.337 20 0 HAADRM O=S(=O)(CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)N1CCNCC1 ZINC001238122976 1072291445 /nfs/dbraw/zinc/29/14/45/1072291445.db2.gz MLBWCOXWNKCEDT-UHFFFAOYSA-N -1 0 409.881 -1.709 20 0 HAADRM COC(=O)[C@H](CC[S@](C)=O)NCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001246066957 1072295900 /nfs/dbraw/zinc/29/59/00/1072295900.db2.gz SQHHRBSFEWWMRL-CEXHIMGSSA-N -1 0 406.461 -1.204 20 0 HAADRM COC(=O)[C@H](CC[S@@](C)=O)NCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001246066968 1072295788 /nfs/dbraw/zinc/29/57/88/1072295788.db2.gz SQHHRBSFEWWMRL-JGTBNHKDSA-N -1 0 406.461 -1.204 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1cccs1 ZINC001250867912 1072302962 /nfs/dbraw/zinc/30/29/62/1072302962.db2.gz XGHKJKPQKAOVPG-ZRFIDHNTSA-N -1 0 404.426 -1.544 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@@H]1O ZINC001250946611 1072303069 /nfs/dbraw/zinc/30/30/69/1072303069.db2.gz JOXKKCMIUQMGPL-GRUVDUQJSA-N -1 0 405.428 -2.347 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@@H]1O ZINC001250946612 1072303048 /nfs/dbraw/zinc/30/30/48/1072303048.db2.gz JOXKKCMIUQMGPL-QXOHVQIXSA-N -1 0 405.428 -2.347 20 0 HAADRM CN(C)S(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001251055389 1072304184 /nfs/dbraw/zinc/30/41/84/1072304184.db2.gz ANFCZRFINGDRPL-IOSLPCCCSA-N -1 0 408.824 -1.691 20 0 HAADRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)N(C)C)[C@H](O)[C@@H]1O ZINC001251058886 1072304175 /nfs/dbraw/zinc/30/41/75/1072304175.db2.gz XAFUDLIBVHEDNF-AEISUSGSSA-N -1 0 415.432 -2.200 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251252797 1072304756 /nfs/dbraw/zinc/30/47/56/1072304756.db2.gz AXSQEKLITCTSIE-UHFFFAOYSA-N -1 0 418.300 -1.622 20 0 HAADRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)s1 ZINC001251350841 1072304603 /nfs/dbraw/zinc/30/46/03/1072304603.db2.gz DGURMQIYDQRCCI-UHFFFAOYSA-N -1 0 400.438 -1.250 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001251610993 1072305131 /nfs/dbraw/zinc/30/51/31/1072305131.db2.gz ACYUHAMPCASFEB-SDBHATRESA-N -1 0 416.387 -1.467 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](O)[C@@H]1O ZINC001251693197 1072305794 /nfs/dbraw/zinc/30/57/94/1072305794.db2.gz HCLHYQVHAZJKAO-LZQZFOIKSA-N -1 0 417.389 -2.269 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](O)[C@@H]1O ZINC001251693198 1072305739 /nfs/dbraw/zinc/30/57/39/1072305739.db2.gz HCLHYQVHAZJKAO-OOCWMUITSA-N -1 0 417.389 -2.269 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001251768283 1072305844 /nfs/dbraw/zinc/30/58/44/1072305844.db2.gz XZIARMUIBDPECI-CYBMUJFWSA-N -1 0 411.444 -1.227 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001251768284 1072305683 /nfs/dbraw/zinc/30/56/83/1072305683.db2.gz XZIARMUIBDPECI-ZDUSSCGKSA-N -1 0 411.444 -1.227 20 0 HAADRM O=[P@]1([O-])OC[C@H]2O[C@@H](n3cnc4c3ncnc4NC[C@H](O)CO)[C@H](O)[C@@H]2O1 ZINC001252054020 1072307939 /nfs/dbraw/zinc/30/79/39/1072307939.db2.gz FEITTWPBJJAGSZ-WFMPWKQPSA-N -1 0 403.288 -1.635 20 0 HAADRM O=[P@]1([O-])OC[C@H]2O[C@@H](n3cnc4c3ncnc4NC[C@H](O)CO)[C@@H](O)[C@@H]2O1 ZINC001252054463 1072307916 /nfs/dbraw/zinc/30/79/16/1072307916.db2.gz FEITTWPBJJAGSZ-ACZGGHATSA-N -1 0 403.288 -1.635 20 0 HAADRM O=[P@]1([O-])OC[C@H]2O[C@@H](n3cnc4c3ncnc4NC[C@H](O)CO)[C@@H](O)[C@H]2O1 ZINC001252054464 1072307824 /nfs/dbraw/zinc/30/78/24/1072307824.db2.gz FEITTWPBJJAGSZ-GQJVVVIPSA-N -1 0 403.288 -1.635 20 0 HAADRM O=[P@@]1([O-])O[C@@H]2[C@H](O1)[C@H](CO)O[C@H]2n1cnc2c1ncnc2NC[C@H](O)CO ZINC001252054923 1072307866 /nfs/dbraw/zinc/30/78/66/1072307866.db2.gz DSICERLXLNXCDJ-RJCBHHLBSA-N -1 0 403.288 -1.635 20 0 HAADRM O=[P@]1([O-])O[C@H]2[C@@H](O1)[C@@H](n1cnc3c1ncnc3NC[C@H](O)CO)O[C@H]2CO ZINC001252054924 1072307817 /nfs/dbraw/zinc/30/78/17/1072307817.db2.gz DSICERLXLNXCDJ-UQKNHXAOSA-N -1 0 403.288 -1.635 20 0 HAADRM O=[P@]1([O-])O[C@@H]2[C@H](CO)O[C@H](n3cnc4c3ncnc4NC[C@H](O)CO)[C@H]2O1 ZINC001252054925 1072307907 /nfs/dbraw/zinc/30/79/07/1072307907.db2.gz DSICERLXLNXCDJ-XWMKAQRVSA-N -1 0 403.288 -1.635 20 0 HAADRM O=[P@]1([O-])O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c3ncnc4NC[C@H](O)CO)[C@H]2O1 ZINC001252054926 1072307845 /nfs/dbraw/zinc/30/78/45/1072307845.db2.gz DSICERLXLNXCDJ-YURGQWHYSA-N -1 0 403.288 -1.635 20 0 HAADRM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001252101988 1072307953 /nfs/dbraw/zinc/30/79/53/1072307953.db2.gz GCTOVUURYCOEKI-XNIJJKJLSA-N -1 0 412.424 -1.297 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001252252293 1072308458 /nfs/dbraw/zinc/30/84/58/1072308458.db2.gz UAGIOMNUEGIHQY-SYLRKERUSA-N -1 0 413.426 -2.100 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001252252294 1072308476 /nfs/dbraw/zinc/30/84/76/1072308476.db2.gz UAGIOMNUEGIHQY-VEGXAWMVSA-N -1 0 413.426 -2.100 20 0 HAADRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)C(C)C)[C@H](O)[C@@H]1O ZINC001252432685 1072308905 /nfs/dbraw/zinc/30/89/05/1072308905.db2.gz FIORCOKDVMGCOW-BQVMBELUSA-N -1 0 414.444 -1.268 20 0 HAADRM CS(=O)(=O)[N-]c1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001252635244 1072309524 /nfs/dbraw/zinc/30/95/24/1072309524.db2.gz MOKUSFHLQQQDNG-KQYNXXCUSA-N -1 0 424.233 -1.428 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252811277 1072310298 /nfs/dbraw/zinc/31/02/98/1072310298.db2.gz RESPYKRUTOSOJK-XNIJJKJLSA-N -1 0 412.424 -1.465 20 0 HAADRM NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)CC(F)(F)F ZINC001253261342 1072311500 /nfs/dbraw/zinc/31/15/00/1072311500.db2.gz PHBWKJHYKCBXRC-QWRGUYRKSA-N -1 0 413.374 -1.253 20 0 HAADRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)CC)[C@H](O)[C@@H]1O ZINC001253289647 1072311402 /nfs/dbraw/zinc/31/14/02/1072311402.db2.gz BHQIHGSHCFJRIS-AEISUSGSSA-N -1 0 400.417 -1.657 20 0 HAADRM CCCS(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1O ZINC001253634076 1072313075 /nfs/dbraw/zinc/31/30/75/1072313075.db2.gz HJFSCGCMVRYKRZ-BQVMBELUSA-N -1 0 414.444 -1.267 20 0 HAADRM COC(=O)C(Cc1cn(CCOCCOCCOCC(=O)[O-])nn1)C(=O)OC ZINC001254084262 1072314576 /nfs/dbraw/zinc/31/45/76/1072314576.db2.gz JLSOZDJZIKFNCJ-UHFFFAOYSA-N -1 0 403.388 -1.083 20 0 HAADRM COC(=O)C(C)(C)c1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254088426 1072314696 /nfs/dbraw/zinc/31/46/96/1072314696.db2.gz CLIHQZCYJGCWEL-UHFFFAOYSA-N -1 0 416.431 -1.021 20 0 HAADRM COC(=O)CCc1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254088868 1072314539 /nfs/dbraw/zinc/31/45/39/1072314539.db2.gz NPTDYMULPRFDQU-UHFFFAOYSA-N -1 0 402.404 -1.366 20 0 HAADRM O=C([O-])COCCOCC(=O)NCCOCCn1cc(CN2CCOCC2)nn1 ZINC001254089042 1072314509 /nfs/dbraw/zinc/31/45/09/1072314509.db2.gz RCSRHBLQGSCEBP-UHFFFAOYSA-N -1 0 415.447 -1.639 20 0 HAADRM Cn1cnc2c1c(=O)n(Cc1cn(CCOCCOCCC(=O)[O-])nn1)c(=O)n2C ZINC001254089256 1072314725 /nfs/dbraw/zinc/31/47/25/1072314725.db2.gz WEHMOCQSBYTBFW-UHFFFAOYSA-N -1 0 421.414 -1.419 20 0 HAADRM CCC(=O)OCc1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254090167 1072314641 /nfs/dbraw/zinc/31/46/41/1072314641.db2.gz FHCVMHKMWNPVLF-UHFFFAOYSA-N -1 0 402.404 -1.018 20 0 HAADRM Cn1cnc2c1c(=O)n(Cc1cn(CCOCCOCC(=O)[O-])nn1)c(=O)n2C ZINC001254090667 1072314562 /nfs/dbraw/zinc/31/45/62/1072314562.db2.gz SBQLNACJRBOOON-UHFFFAOYSA-N -1 0 407.387 -1.809 20 0 HAADRM C=CC(=O)OCc1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254091093 1072314741 /nfs/dbraw/zinc/31/47/41/1072314741.db2.gz ZFWQQYJMXNZUOZ-UHFFFAOYSA-N -1 0 400.388 -1.242 20 0 HAADRM COCCOCc1cn(CCOCCNC(=O)COCCOCC(=O)[O-])nn1 ZINC001254091094 1072314598 /nfs/dbraw/zinc/31/45/98/1072314598.db2.gz ZHDFLUZDEWJLQW-UHFFFAOYSA-N -1 0 404.420 -1.308 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001254416614 1072321333 /nfs/dbraw/zinc/32/13/33/1072321333.db2.gz CNLPMTXSTABFRY-GHMZBOCLSA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001254416615 1072321602 /nfs/dbraw/zinc/32/16/02/1072321602.db2.gz CNLPMTXSTABFRY-MNOVXSKESA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001254416616 1072321381 /nfs/dbraw/zinc/32/13/81/1072321381.db2.gz CNLPMTXSTABFRY-QWRGUYRKSA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001254416617 1072321570 /nfs/dbraw/zinc/32/15/70/1072321570.db2.gz CNLPMTXSTABFRY-WDEREUQCSA-N -1 0 407.470 -1.223 20 0 HAADRM Cc1ccccc1S(=O)(=O)[N-]c1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001254520094 1072322189 /nfs/dbraw/zinc/32/21/89/1072322189.db2.gz OICMITDHJJPZRR-RVXWVPLUSA-N -1 0 412.424 -1.297 20 0 HAADRM Cc1ccccc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001254678508 1072322534 /nfs/dbraw/zinc/32/25/34/1072322534.db2.gz JRQHUOFJLAWJIO-JOLIMNQDSA-N -1 0 413.426 -2.100 20 0 HAADRM Cc1ccccc1S(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001254678511 1072322555 /nfs/dbraw/zinc/32/25/55/1072322555.db2.gz JRQHUOFJLAWJIO-WECGXBHGSA-N -1 0 413.426 -2.100 20 0 HAADRM COc1c(S(=O)(=O)[N-]C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)nn1C ZINC001255287966 1072324655 /nfs/dbraw/zinc/32/46/55/1072324655.db2.gz FNXRJQMRGGEESS-UHFFFAOYSA-N -1 0 409.490 -1.881 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1ccccc1F ZINC001255416716 1072324589 /nfs/dbraw/zinc/32/45/89/1072324589.db2.gz WFEOXCLCGLLCSI-PMXXHBEXSA-N -1 0 416.387 -1.467 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](O)[C@@H]1O ZINC001255544624 1072325214 /nfs/dbraw/zinc/32/52/14/1072325214.db2.gz PCYVIAKQGGZFIN-RGHQJQCBSA-N -1 0 417.389 -2.269 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](O)[C@@H]1O ZINC001255544627 1072325179 /nfs/dbraw/zinc/32/51/79/1072325179.db2.gz PCYVIAKQGGZFIN-YNVCDSSISA-N -1 0 417.389 -2.269 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255575460 1072325687 /nfs/dbraw/zinc/32/56/87/1072325687.db2.gz UPRXXGGTXDBUKD-SDBHATRESA-N -1 0 416.387 -1.467 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](O)[C@@H]1O ZINC001255696598 1072326051 /nfs/dbraw/zinc/32/60/51/1072326051.db2.gz UFOOGBWDDWUDPI-LZQZFOIKSA-N -1 0 417.389 -2.269 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](O)[C@@H]1O ZINC001255696599 1072326136 /nfs/dbraw/zinc/32/61/36/1072326136.db2.gz UFOOGBWDDWUDPI-OOCWMUITSA-N -1 0 417.389 -2.269 20 0 HAADRM Cc1cccc(S(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001256869510 1072329663 /nfs/dbraw/zinc/32/96/63/1072329663.db2.gz VWVIILZOWHALEA-XNIJJKJLSA-N -1 0 412.424 -1.297 20 0 HAADRM Cc1cccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001256989856 1072329654 /nfs/dbraw/zinc/32/96/54/1072329654.db2.gz NQBWOZHEKYIDFS-SYLRKERUSA-N -1 0 413.426 -2.100 20 0 HAADRM Cc1cccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001256989861 1072329714 /nfs/dbraw/zinc/32/97/14/1072329714.db2.gz NQBWOZHEKYIDFS-VEGXAWMVSA-N -1 0 413.426 -2.100 20 0 HAADRM Cc1noc(C)c1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001258791856 1072332083 /nfs/dbraw/zinc/33/20/83/1072332083.db2.gz UDZDFIYHAIGSJQ-UEWQFTGXSA-N -1 0 418.402 -2.803 20 0 HAADRM Cc1noc(C)c1S(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001258791889 1072332828 /nfs/dbraw/zinc/33/28/28/1072332828.db2.gz UDZDFIYHAIGSJQ-VCMDJLOCSA-N -1 0 418.402 -2.803 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1 ZINC001258999724 1072333246 /nfs/dbraw/zinc/33/32/46/1072333246.db2.gz BXMURIHZXOZMEZ-DZQJYWQESA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 ZINC001258999725 1072333346 /nfs/dbraw/zinc/33/33/46/1072333346.db2.gz BXMURIHZXOZMEZ-VMMWWAARSA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1cnc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001259003266 1072333360 /nfs/dbraw/zinc/33/33/60/1072333360.db2.gz DTFLVLOUHUXESK-GRUVDUQJSA-N -1 0 403.391 -3.675 20 0 HAADRM Cn1cnc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001259003267 1072333329 /nfs/dbraw/zinc/33/33/29/1072333329.db2.gz DTFLVLOUHUXESK-QXOHVQIXSA-N -1 0 403.391 -3.675 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001259018626 1072333365 /nfs/dbraw/zinc/33/33/65/1072333365.db2.gz PMKABIBHVLSWQE-IDTAVKCVSA-N -1 0 402.385 -2.043 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]c1ccccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001259025383 1072333831 /nfs/dbraw/zinc/33/38/31/1072333831.db2.gz TYVUIQORRGSXKV-UHFFFAOYSA-N -1 0 421.497 -1.100 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001259028729 1072333793 /nfs/dbraw/zinc/33/37/93/1072333793.db2.gz PXADIXCHOABONH-BFYSQQLMSA-N -1 0 423.465 -1.507 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001259028732 1072333844 /nfs/dbraw/zinc/33/38/44/1072333844.db2.gz PXADIXCHOABONH-HUGQBSPZSA-N -1 0 423.465 -1.507 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001259028733 1072333720 /nfs/dbraw/zinc/33/37/20/1072333720.db2.gz PXADIXCHOABONH-NZNQWUEYSA-N -1 0 423.465 -1.507 20 0 HAADRM COC(=O)CS(=O)(=O)[N-]c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001259028734 1072333761 /nfs/dbraw/zinc/33/37/61/1072333761.db2.gz PXADIXCHOABONH-RCSLCFTFSA-N -1 0 423.465 -1.507 20 0 HAADRM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)c2c(F)cccc2F)c(=O)[nH]1 ZINC001259071486 1072334492 /nfs/dbraw/zinc/33/44/92/1072334492.db2.gz YKFLZBJPLSHANE-XIDUGBJDSA-N -1 0 419.362 -1.175 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259073129 1072334353 /nfs/dbraw/zinc/33/43/53/1072334353.db2.gz JQPYAYUHWGZUKM-NSHDSACASA-N -1 0 404.395 -1.164 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226194 1072334375 /nfs/dbraw/zinc/33/43/75/1072334375.db2.gz RMQOGXPPQXOPFP-UHFFFAOYSA-N -1 0 424.794 -1.827 20 0 HAADRM O=S(=O)([N-]c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CC1 ZINC001259270682 1072335008 /nfs/dbraw/zinc/33/50/08/1072335008.db2.gz FQWZKEGUDJSLLR-WOUKDFQISA-N -1 0 405.820 -1.005 20 0 HAADRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)C2CC2)[C@H](O)[C@@H]1O ZINC001259271925 1072334967 /nfs/dbraw/zinc/33/49/67/1072334967.db2.gz XHBAKNSISFPDNF-BQVMBELUSA-N -1 0 412.428 -1.514 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2ccccn2)[C@@H](O)[C@@H]1O ZINC001259293596 1072334799 /nfs/dbraw/zinc/33/47/99/1072334799.db2.gz VOOKHNNNAOGEFW-NENRSDFPSA-N -1 0 400.387 -3.013 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2ccccn2)[C@@H](O)[C@@H]1O ZINC001259293597 1072334770 /nfs/dbraw/zinc/33/47/70/1072334770.db2.gz VOOKHNNNAOGEFW-QVDPWDGTSA-N -1 0 400.387 -3.013 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2cccnc2)[C@@H](O)[C@@H]1O ZINC001259612304 1072335294 /nfs/dbraw/zinc/33/52/94/1072335294.db2.gz ZGAJFZRGQPLWEU-ILAIQSSSSA-N -1 0 400.387 -3.013 20 0 HAADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2cccnc2)[C@@H](O)[C@@H]1O ZINC001259612305 1072335491 /nfs/dbraw/zinc/33/54/91/1072335491.db2.gz ZGAJFZRGQPLWEU-ISUQUUIWSA-N -1 0 400.387 -3.013 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259614274 1072335407 /nfs/dbraw/zinc/33/54/07/1072335407.db2.gz WTPIKIBTZOOXBI-XNIJJKJLSA-N -1 0 418.472 -1.085 20 0 HAADRM O=S(=O)([O-])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259629266 1072335756 /nfs/dbraw/zinc/33/57/56/1072335756.db2.gz LFZMYQPGBJUDJH-UHFFFAOYSA-N -1 0 400.456 -1.169 20 0 HAADRM COc1ccc(OCCCS(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC001259651063 1072335782 /nfs/dbraw/zinc/33/57/82/1072335782.db2.gz PKDWJRBYSSULKZ-OXGONZEZSA-N -1 0 407.441 -1.817 20 0 HAADRM COc1ccc(OCCCS(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC001259651064 1072335865 /nfs/dbraw/zinc/33/58/65/1072335865.db2.gz PKDWJRBYSSULKZ-QCODTGAPSA-N -1 0 407.441 -1.817 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)C1CCCCC1 ZINC001259808713 1072336502 /nfs/dbraw/zinc/33/65/02/1072336502.db2.gz AETJQIBRBBHMBN-SDBHATRESA-N -1 0 404.445 -1.332 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1 ZINC001259827120 1072336335 /nfs/dbraw/zinc/33/63/35/1072336335.db2.gz KDICDEDSAHLATH-LYYZXLFJSA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cn1 ZINC001259827642 1072336513 /nfs/dbraw/zinc/33/65/13/1072336513.db2.gz KDICDEDSAHLATH-OWYFMNJBSA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001259830792 1072336479 /nfs/dbraw/zinc/33/64/79/1072336479.db2.gz OEFVFOCYXWSDIB-IGORNWKESA-N -1 0 403.391 -3.675 20 0 HAADRM Cn1cc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001259830793 1072336367 /nfs/dbraw/zinc/33/63/67/1072336367.db2.gz OEFVFOCYXWSDIB-VVULQXIFSA-N -1 0 403.391 -3.675 20 0 HAADRM CCn1cc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1 ZINC001259842557 1072336410 /nfs/dbraw/zinc/33/64/10/1072336410.db2.gz QXCOBNGDNATLEF-ILAIQSSSSA-N -1 0 417.418 -3.192 20 0 HAADRM CCn1cc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1 ZINC001259842558 1072336450 /nfs/dbraw/zinc/33/64/50/1072336450.db2.gz QXCOBNGDNATLEF-ISUQUUIWSA-N -1 0 417.418 -3.192 20 0 HAADRM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)CCC(F)(F)F)c(=O)[nH]1 ZINC001259875708 1072336983 /nfs/dbraw/zinc/33/69/83/1072336983.db2.gz PAJRRLQFOYPGJW-PEBGCTIMSA-N -1 0 403.335 -1.560 20 0 HAADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)C1CCOCC1 ZINC001259908370 1072336900 /nfs/dbraw/zinc/33/69/00/1072336900.db2.gz KHWYJWHGJVVPBB-IDTAVKCVSA-N -1 0 406.417 -2.486 20 0 HAADRM O=S(=O)([N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCOCC1 ZINC001259908824 1072336936 /nfs/dbraw/zinc/33/69/36/1072336936.db2.gz GSEQLKXBUQSOJR-BRXULGCHSA-N -1 0 414.440 -1.037 20 0 HAADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)n1 ZINC001259944811 1072337547 /nfs/dbraw/zinc/33/75/47/1072337547.db2.gz SNLBJHDMZMGTOD-DZQJYWQESA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)n1 ZINC001259945269 1072337340 /nfs/dbraw/zinc/33/73/40/1072337340.db2.gz SNLBJHDMZMGTOD-VMMWWAARSA-N -1 0 415.424 -1.600 20 0 HAADRM Cn1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)n1 ZINC001259948443 1072337471 /nfs/dbraw/zinc/33/74/71/1072337471.db2.gz RSSSCBKDFNHECV-GRUVDUQJSA-N -1 0 403.391 -3.675 20 0 HAADRM Cn1ccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)n1 ZINC001259948444 1072337435 /nfs/dbraw/zinc/33/74/35/1072337435.db2.gz RSSSCBKDFNHECV-QXOHVQIXSA-N -1 0 403.391 -3.675 20 0 HAADRM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001260035303 1072337897 /nfs/dbraw/zinc/33/78/97/1072337897.db2.gz FAVFVIXNBWDZKC-SYLRKERUSA-N -1 0 401.359 -1.075 20 0 HAADRM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001260035304 1072337983 /nfs/dbraw/zinc/33/79/83/1072337983.db2.gz FAVFVIXNBWDZKC-VEGXAWMVSA-N -1 0 401.359 -1.075 20 0 HAADRM Cc1ccsc1S(=O)(=O)[N-]c1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001260063280 1072337883 /nfs/dbraw/zinc/33/78/83/1072337883.db2.gz VVBBGBIODJNLAU-QYVSTXNMSA-N -1 0 418.453 -1.236 20 0 HAADRM Cc1ccsc1S(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001260071981 1072337970 /nfs/dbraw/zinc/33/79/70/1072337970.db2.gz APZGKGRMIVWPHR-IGORNWKESA-N -1 0 419.455 -2.038 20 0 HAADRM Cc1ccsc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001260071982 1072338138 /nfs/dbraw/zinc/33/81/38/1072338138.db2.gz APZGKGRMIVWPHR-VVULQXIFSA-N -1 0 419.455 -2.038 20 0 HAADRM NS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001260074626 1072338052 /nfs/dbraw/zinc/33/80/52/1072338052.db2.gz MLNKOBOXTXSZRG-GAWUUDPSSA-N -1 0 408.289 -1.784 20 0 HAADRM NS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001260074628 1072338032 /nfs/dbraw/zinc/33/80/32/1072338032.db2.gz MLNKOBOXTXSZRG-XJCFNFQFSA-N -1 0 408.289 -1.784 20 0 HAADRM NS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001260074754 1072338111 /nfs/dbraw/zinc/33/81/11/1072338111.db2.gz MLNKOBOXTXSZRG-KQYNXXCUSA-N -1 0 408.289 -1.784 20 0 HAADRM NS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12 ZINC001260075366 1072338018 /nfs/dbraw/zinc/33/80/18/1072338018.db2.gz BVUHUPUDXDKVPK-GAWUUDPSSA-N -1 0 408.289 -1.784 20 0 HAADRM NS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12 ZINC001260075367 1072337822 /nfs/dbraw/zinc/33/78/22/1072337822.db2.gz BVUHUPUDXDKVPK-XJCFNFQFSA-N -1 0 408.289 -1.784 20 0 HAADRM NS(=O)(=O)[N-]c1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001260075477 1072337940 /nfs/dbraw/zinc/33/79/40/1072337940.db2.gz FIQBMZXRQCQLGI-KVQBGUIXSA-N -1 0 409.222 -1.155 20 0 HAADRM CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1 ZINC001260179677 1072338643 /nfs/dbraw/zinc/33/86/43/1072338643.db2.gz SOCIATZRESIWHR-UHFFFAOYSA-N -1 0 423.908 -1.367 20 0 HAADRM O=C1C=CC(=O)N1CCOCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260180810 1072338610 /nfs/dbraw/zinc/33/86/10/1072338610.db2.gz AGCJOKPBGITNGY-UHFFFAOYSA-N -1 0 400.804 -1.002 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260181842 1072338481 /nfs/dbraw/zinc/33/84/81/1072338481.db2.gz NBAASRNFWNZXQM-UHFFFAOYSA-N -1 0 404.796 -3.226 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260193831 1072338532 /nfs/dbraw/zinc/33/85/32/1072338532.db2.gz WWUBMBAQIDTJPR-UHFFFAOYSA-N -1 0 401.397 -1.541 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260195245 1072338692 /nfs/dbraw/zinc/33/86/92/1072338692.db2.gz RLERWJFLTGXVAO-LBPRGKRZSA-N -1 0 412.424 -1.744 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260219122 1072338577 /nfs/dbraw/zinc/33/85/77/1072338577.db2.gz GCKAXFOIHDXVBS-UHFFFAOYSA-N -1 0 419.387 -1.402 20 0 HAADRM C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001260220674 1072339040 /nfs/dbraw/zinc/33/90/40/1072339040.db2.gz GTMNYFMNOLWWKF-BBOGJPIGSA-N -1 0 409.388 -1.354 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260231410 1072339065 /nfs/dbraw/zinc/33/90/65/1072339065.db2.gz PBXPCCBSSCLJHE-UHFFFAOYSA-N -1 0 401.397 -1.541 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260232564 1072339020 /nfs/dbraw/zinc/33/90/20/1072339020.db2.gz VKVBITLQZWFUHL-LBPRGKRZSA-N -1 0 412.424 -1.744 20 0 HAADRM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260358399 1072338972 /nfs/dbraw/zinc/33/89/72/1072338972.db2.gz XCYZVDRUONLDSR-NSHDSACASA-N -1 0 422.385 -1.025 20 0 HAADRM CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC001260401691 1072339085 /nfs/dbraw/zinc/33/90/85/1072339085.db2.gz WBCIOSQMEWCHHR-UHFFFAOYSA-N -1 0 407.470 -1.054 20 0 HAADRM CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260402535 1072338957 /nfs/dbraw/zinc/33/89/57/1072338957.db2.gz NMPVOTAYIWHLTQ-UHFFFAOYSA-N -1 0 417.396 -1.836 20 0 HAADRM Cc1nc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cn1C ZINC001260551506 1072339601 /nfs/dbraw/zinc/33/96/01/1072339601.db2.gz HQWYQIVDZBJGCB-NENRSDFPSA-N -1 0 417.418 -3.366 20 0 HAADRM Cc1nc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cn1C ZINC001260551530 1072339609 /nfs/dbraw/zinc/33/96/09/1072339609.db2.gz HQWYQIVDZBJGCB-QVDPWDGTSA-N -1 0 417.418 -3.366 20 0 HAADRM COC(=O)[C@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584500 1072339579 /nfs/dbraw/zinc/33/95/79/1072339579.db2.gz JNEUEEUIWVLGJV-MRVPVSSYSA-N -1 0 407.430 -1.506 20 0 HAADRM COC(=O)[C@@H](O)CCn1cnc2c1ncnc2[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260584501 1072339590 /nfs/dbraw/zinc/33/95/90/1072339590.db2.gz JNEUEEUIWVLGJV-QMMMGPOBSA-N -1 0 407.430 -1.506 20 0 HAADRM C[C@H]1[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001260619505 1072340971 /nfs/dbraw/zinc/34/09/71/1072340971.db2.gz XTCHOKDLEROABC-CDUCUWFYSA-N -1 0 404.382 -1.279 20 0 HAADRM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)Cc2ccccc2F)c(=O)[nH]1 ZINC001260630779 1072341073 /nfs/dbraw/zinc/34/10/73/1072341073.db2.gz DBYLPAFQUVWXIU-NMFUWQPSSA-N -1 0 415.399 -1.173 20 0 HAADRM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)s1 ZINC001260679163 1072341378 /nfs/dbraw/zinc/34/13/78/1072341378.db2.gz YZLMAEGDFLIEPO-FRJWGUMJSA-N -1 0 418.453 -1.236 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)s1 ZINC001260687849 1072341639 /nfs/dbraw/zinc/34/16/39/1072341639.db2.gz WBHUVAMHDUXSNJ-NENRSDFPSA-N -1 0 419.455 -2.038 20 0 HAADRM Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)s1 ZINC001260687851 1072341333 /nfs/dbraw/zinc/34/13/33/1072341333.db2.gz WBHUVAMHDUXSNJ-QVDPWDGTSA-N -1 0 419.455 -2.038 20 0 HAADRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260881002 1072342114 /nfs/dbraw/zinc/34/21/14/1072342114.db2.gz CEFROGKMTRHKGN-UHFFFAOYSA-N -1 0 413.239 -1.305 20 0 HAADRM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001260900846 1072342199 /nfs/dbraw/zinc/34/21/99/1072342199.db2.gz VGQAMFJELLKKES-SYLRKERUSA-N -1 0 401.359 -1.075 20 0 HAADRM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001260900847 1072342043 /nfs/dbraw/zinc/34/20/43/1072342043.db2.gz VGQAMFJELLKKES-VEGXAWMVSA-N -1 0 401.359 -1.075 20 0 HAADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1=O ZINC001292654520 1072352358 /nfs/dbraw/zinc/35/23/58/1072352358.db2.gz HTYAKBFEIGXHPD-CABCVRRESA-N -1 0 400.501 -1.011 20 0 HAADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1=O ZINC001292654521 1072352421 /nfs/dbraw/zinc/35/24/21/1072352421.db2.gz HTYAKBFEIGXHPD-GJZGRUSLSA-N -1 0 400.501 -1.011 20 0 HAADRM CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1=O ZINC001292654522 1072352460 /nfs/dbraw/zinc/35/24/60/1072352460.db2.gz HTYAKBFEIGXHPD-HUUCEWRRSA-N -1 0 400.501 -1.011 20 0 HAADRM CC(C)Cn1[n-]c(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1=O ZINC001292654523 1072352334 /nfs/dbraw/zinc/35/23/34/1072352334.db2.gz HTYAKBFEIGXHPD-LSDHHAIUSA-N -1 0 400.501 -1.011 20 0 HAADRM CCN1C(=O)CO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1ccnn1C ZINC001296321788 1072356618 /nfs/dbraw/zinc/35/66/18/1072356618.db2.gz DWKYQCWABKAIQA-KGLIPLIRSA-N -1 0 401.445 -1.709 20 0 HAADRM CCN1C(=O)CO[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@H]1c1nccn1C ZINC001296322276 1072356562 /nfs/dbraw/zinc/35/65/62/1072356562.db2.gz XGGPFXJYEMNRJK-STQMWFEESA-N -1 0 401.445 -1.709 20 0 HAADRM O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001296665192 1072356654 /nfs/dbraw/zinc/35/66/54/1072356654.db2.gz ZCJDNMQHHBAGKL-QMMMGPOBSA-N -1 0 401.367 -1.438 20 0 HAADRM COCCN1CN(C(=O)c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1=O ZINC001296908579 1072357112 /nfs/dbraw/zinc/35/71/12/1072357112.db2.gz OVVWJWHPTBOXJR-UHFFFAOYSA-N -1 0 404.427 -1.004 20 0 HAADRM CN(C)S(=O)(=O)N1CC(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC001301962435 1072364433 /nfs/dbraw/zinc/36/44/33/1072364433.db2.gz NIXQIXWGJFYUKL-UHFFFAOYSA-N -1 0 412.440 -1.150 20 0 HAADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001309124756 1072374478 /nfs/dbraw/zinc/37/44/78/1072374478.db2.gz YDXUPGTWQGWSSO-NEPJUHHUSA-N -1 0 401.532 -1.420 20 0 HAADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001309124757 1072374412 /nfs/dbraw/zinc/37/44/12/1072374412.db2.gz YDXUPGTWQGWSSO-NWDGAFQWSA-N -1 0 401.532 -1.420 20 0 HAADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001309124758 1072374350 /nfs/dbraw/zinc/37/43/50/1072374350.db2.gz YDXUPGTWQGWSSO-RYUDHWBXSA-N -1 0 401.532 -1.420 20 0 HAADRM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001309124759 1072374463 /nfs/dbraw/zinc/37/44/63/1072374463.db2.gz YDXUPGTWQGWSSO-VXGBXAGGSA-N -1 0 401.532 -1.420 20 0 HAADRM Cn1cnnc1S(=O)(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001309418284 1072374772 /nfs/dbraw/zinc/37/47/72/1072374772.db2.gz NLZUVAMKXJPPQJ-UHFFFAOYSA-N -1 0 406.412 -1.046 20 0 HAADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001309789464 1072377356 /nfs/dbraw/zinc/37/73/56/1072377356.db2.gz ZODXDBSPXSKKOY-LLVKDONJSA-N -1 0 422.451 -1.049 20 0 HAADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001309789465 1072377383 /nfs/dbraw/zinc/37/73/83/1072377383.db2.gz ZODXDBSPXSKKOY-NSHDSACASA-N -1 0 422.451 -1.049 20 0 HAADRM CO[N-]C(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001311382612 1072379111 /nfs/dbraw/zinc/37/91/11/1072379111.db2.gz ZKUSAMYIRIUAAE-UHFFFAOYSA-N -1 0 400.461 -1.490 20 0 HAADRM CO[N-]C(=O)CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001312833435 1072381212 /nfs/dbraw/zinc/38/12/12/1072381212.db2.gz LVFUSBNIJALGQY-UHFFFAOYSA-N -1 0 400.413 -1.193 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1Cl ZINC001318057316 1072394300 /nfs/dbraw/zinc/39/43/00/1072394300.db2.gz NSQQFDNKQKEJOK-BDAKNGLRSA-N -1 0 424.888 -1.086 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1Cl ZINC001318057324 1072394012 /nfs/dbraw/zinc/39/40/12/1072394012.db2.gz NSQQFDNKQKEJOK-DTWKUNHWSA-N -1 0 424.888 -1.086 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1Cl ZINC001318057328 1072394264 /nfs/dbraw/zinc/39/42/64/1072394264.db2.gz NSQQFDNKQKEJOK-IUCAKERBSA-N -1 0 424.888 -1.086 20 0 HAADRM Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1Cl ZINC001318057330 1072393989 /nfs/dbraw/zinc/39/39/89/1072393989.db2.gz NSQQFDNKQKEJOK-RKDXNWHRSA-N -1 0 424.888 -1.086 20 0 HAADRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)s1 ZINC001318079660 1072394139 /nfs/dbraw/zinc/39/41/39/1072394139.db2.gz YMUNIMXJSKOINB-UHFFFAOYSA-N -1 0 414.465 -1.208 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)CN3C(=O)CNC3=O)ncnc1-2 ZINC001318294188 1072396302 /nfs/dbraw/zinc/39/63/02/1072396302.db2.gz UJXAIWLBBOIXKL-UHFFFAOYSA-N -1 0 411.220 -1.421 20 0 HAADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)Cn3[n-]cc4c(=O)ncnc3-4)CC2)cn1C ZINC001319366938 1072408389 /nfs/dbraw/zinc/40/83/89/1072408389.db2.gz OEACPAJCYGIEAM-UHFFFAOYSA-N -1 0 420.455 -1.354 20 0 HAADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cnc21 ZINC001321464854 1072429427 /nfs/dbraw/zinc/42/94/27/1072429427.db2.gz UVJNWUZVOJYHAT-PLNGDYQASA-N -1 0 404.408 -1.116 20 0 HAADRM Cn1ncc2cc(S(=O)(=O)[N-]C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)cnc21 ZINC001321464861 1072429614 /nfs/dbraw/zinc/42/96/14/1072429614.db2.gz UVJNWUZVOJYHAT-SNAWJCMRSA-N -1 0 404.408 -1.116 20 0 HAADRM COc1c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c(C)nn1C ZINC001321493696 1072429592 /nfs/dbraw/zinc/42/95/92/1072429592.db2.gz VZRJDAMSMQQNKA-LLVKDONJSA-N -1 0 401.445 -1.331 20 0 HAADRM COc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c(C)nn1C ZINC001321493697 1072429708 /nfs/dbraw/zinc/42/97/08/1072429708.db2.gz VZRJDAMSMQQNKA-NSHDSACASA-N -1 0 401.445 -1.331 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c[n-]n4c3nccc4=O)CC2)CC1 ZINC001321496450 1072429697 /nfs/dbraw/zinc/42/96/97/1072429697.db2.gz BQSGHWROJNINDY-UHFFFAOYSA-N -1 0 409.472 -1.727 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322325273 1072435129 /nfs/dbraw/zinc/43/51/29/1072435129.db2.gz LPDZPPPQBDQBLL-GHMZBOCLSA-N -1 0 404.470 -1.257 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322325280 1072435115 /nfs/dbraw/zinc/43/51/15/1072435115.db2.gz LPDZPPPQBDQBLL-MNOVXSKESA-N -1 0 404.470 -1.257 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322325281 1072435191 /nfs/dbraw/zinc/43/51/91/1072435191.db2.gz LPDZPPPQBDQBLL-QWRGUYRKSA-N -1 0 404.470 -1.257 20 0 HAADRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001322325282 1072435162 /nfs/dbraw/zinc/43/51/62/1072435162.db2.gz LPDZPPPQBDQBLL-WDEREUQCSA-N -1 0 404.470 -1.257 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001322679256 1072438749 /nfs/dbraw/zinc/43/87/49/1072438749.db2.gz HOKRZPZBQUBJQG-NEPJUHHUSA-N -1 0 412.486 -1.869 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001322679257 1072438678 /nfs/dbraw/zinc/43/86/78/1072438678.db2.gz HOKRZPZBQUBJQG-NWDGAFQWSA-N -1 0 412.486 -1.869 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001322679258 1072438759 /nfs/dbraw/zinc/43/87/59/1072438759.db2.gz HOKRZPZBQUBJQG-RYUDHWBXSA-N -1 0 412.486 -1.869 20 0 HAADRM COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001322679259 1072438817 /nfs/dbraw/zinc/43/88/17/1072438817.db2.gz HOKRZPZBQUBJQG-VXGBXAGGSA-N -1 0 412.486 -1.869 20 0 HAADRM COCC1(S(=O)(=O)[N-]C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001323923662 1072445339 /nfs/dbraw/zinc/44/53/39/1072445339.db2.gz OBDMFKCCUBJAJC-JTQLQIEISA-N -1 0 407.470 -1.223 20 0 HAADRM COCC1(S(=O)(=O)[N-]C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001323923663 1072445430 /nfs/dbraw/zinc/44/54/30/1072445430.db2.gz OBDMFKCCUBJAJC-SNVBAGLBSA-N -1 0 407.470 -1.223 20 0 HAADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cnn1C ZINC001324111002 1072446883 /nfs/dbraw/zinc/44/68/83/1072446883.db2.gz CFNZFIYUORDDCA-GHMZBOCLSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cnn1C ZINC001324111003 1072446908 /nfs/dbraw/zinc/44/69/08/1072446908.db2.gz CFNZFIYUORDDCA-MNOVXSKESA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cnn1C ZINC001324111004 1072446914 /nfs/dbraw/zinc/44/69/14/1072446914.db2.gz CFNZFIYUORDDCA-QWRGUYRKSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cnn1C ZINC001324111005 1072446937 /nfs/dbraw/zinc/44/69/37/1072446937.db2.gz CFNZFIYUORDDCA-WDEREUQCSA-N -1 0 404.470 -1.431 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c(=O)n(C)c1=O ZINC001324191290 1072447496 /nfs/dbraw/zinc/44/74/96/1072447496.db2.gz DAEDWZOJBPPUMJ-JTQLQIEISA-N -1 0 414.440 -1.830 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c(=O)n(C)c1=O ZINC001324191291 1072447631 /nfs/dbraw/zinc/44/76/31/1072447631.db2.gz DAEDWZOJBPPUMJ-SNVBAGLBSA-N -1 0 414.440 -1.830 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC001324321925 1072449459 /nfs/dbraw/zinc/44/94/59/1072449459.db2.gz MCHMTZPYQJWODH-GFCCVEGCSA-N -1 0 421.501 -1.773 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC001324321926 1072449503 /nfs/dbraw/zinc/44/95/03/1072449503.db2.gz MCHMTZPYQJWODH-LBPRGKRZSA-N -1 0 421.501 -1.773 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001325012863 1072453702 /nfs/dbraw/zinc/45/37/02/1072453702.db2.gz YBOOFLLEDURDGN-GXTWGEPZSA-N -1 0 413.456 -1.224 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001325012866 1072453719 /nfs/dbraw/zinc/45/37/19/1072453719.db2.gz YBOOFLLEDURDGN-JSGCOSHPSA-N -1 0 413.456 -1.224 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001325012868 1072453618 /nfs/dbraw/zinc/45/36/18/1072453618.db2.gz YBOOFLLEDURDGN-OCCSQVGLSA-N -1 0 413.456 -1.224 20 0 HAADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001325012870 1072453656 /nfs/dbraw/zinc/45/36/56/1072453656.db2.gz YBOOFLLEDURDGN-TZMCWYRMSA-N -1 0 413.456 -1.224 20 0 HAADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001325084578 1072454396 /nfs/dbraw/zinc/45/43/96/1072454396.db2.gz YVZJYNMXFPKVRQ-GHMZBOCLSA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001325084581 1072454255 /nfs/dbraw/zinc/45/42/55/1072454255.db2.gz YVZJYNMXFPKVRQ-MNOVXSKESA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001325084582 1072454370 /nfs/dbraw/zinc/45/43/70/1072454370.db2.gz YVZJYNMXFPKVRQ-QWRGUYRKSA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001325084585 1072454387 /nfs/dbraw/zinc/45/43/87/1072454387.db2.gz YVZJYNMXFPKVRQ-WDEREUQCSA-N -1 0 407.470 -1.223 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001325891578 1072456660 /nfs/dbraw/zinc/45/66/60/1072456660.db2.gz HUPWGAKLPKBZBL-AGIUHOORSA-N -1 0 408.498 -1.105 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001325891580 1072456769 /nfs/dbraw/zinc/45/67/69/1072456769.db2.gz HUPWGAKLPKBZBL-FRRDWIJNSA-N -1 0 408.498 -1.105 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001325891584 1072456729 /nfs/dbraw/zinc/45/67/29/1072456729.db2.gz HUPWGAKLPKBZBL-JHJVBQTASA-N -1 0 408.498 -1.105 20 0 HAADRM O=C([N-]S(=O)(=O)C[C@@H]1CCCOC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001325891585 1072456785 /nfs/dbraw/zinc/45/67/85/1072456785.db2.gz HUPWGAKLPKBZBL-UPJWGTAASA-N -1 0 408.498 -1.105 20 0 HAADRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC1 ZINC001326329482 1072457741 /nfs/dbraw/zinc/45/77/41/1072457741.db2.gz QKEYYKXYIWHYLX-UHFFFAOYSA-N -1 0 407.474 -1.952 20 0 HAADRM CN(C)C(=O)CN1CCN(C(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC001327342209 1072460386 /nfs/dbraw/zinc/46/03/86/1072460386.db2.gz IAYBKENCALYGHO-UHFFFAOYSA-N -1 0 405.415 -2.153 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC001327738038 1072461160 /nfs/dbraw/zinc/46/11/60/1072461160.db2.gz BRAWTJUOJZXUAY-UHFFFAOYSA-N -1 0 400.461 -1.704 20 0 HAADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001327739018 1072461209 /nfs/dbraw/zinc/46/12/09/1072461209.db2.gz GKMPOJQTYGCTQF-GHMZBOCLSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001327739019 1072461131 /nfs/dbraw/zinc/46/11/31/1072461131.db2.gz GKMPOJQTYGCTQF-MNOVXSKESA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001327739020 1072461188 /nfs/dbraw/zinc/46/11/88/1072461188.db2.gz GKMPOJQTYGCTQF-QWRGUYRKSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001327739021 1072461254 /nfs/dbraw/zinc/46/12/54/1072461254.db2.gz GKMPOJQTYGCTQF-WDEREUQCSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001329567979 1072463883 /nfs/dbraw/zinc/46/38/83/1072463883.db2.gz CPHZRHNJWNBTQL-GHMZBOCLSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001329567981 1072463891 /nfs/dbraw/zinc/46/38/91/1072463891.db2.gz CPHZRHNJWNBTQL-MNOVXSKESA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001329567983 1072463824 /nfs/dbraw/zinc/46/38/24/1072463824.db2.gz CPHZRHNJWNBTQL-QWRGUYRKSA-N -1 0 404.470 -1.431 20 0 HAADRM Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001329567984 1072463616 /nfs/dbraw/zinc/46/36/16/1072463616.db2.gz CPHZRHNJWNBTQL-WDEREUQCSA-N -1 0 404.470 -1.431 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC001330210156 1072464421 /nfs/dbraw/zinc/46/44/21/1072464421.db2.gz AHJTVDRKYAIXFR-LLVKDONJSA-N -1 0 411.502 -1.506 20 0 HAADRM CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC001330210162 1072464369 /nfs/dbraw/zinc/46/43/69/1072464369.db2.gz AHJTVDRKYAIXFR-NSHDSACASA-N -1 0 411.502 -1.506 20 0 HAADRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001334833186 1072467253 /nfs/dbraw/zinc/46/72/53/1072467253.db2.gz OYNOSELRVNOSBY-UHFFFAOYSA-N -1 0 412.468 -1.057 20 0 HAADRM CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001336199720 1072468934 /nfs/dbraw/zinc/46/89/34/1072468934.db2.gz NDRVEUOJHCWKCJ-UHFFFAOYSA-N -1 0 412.468 -1.057 20 0 HAADRM O=S1(=O)C[C@H](O)[C@@H](N2CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CC2)C1 ZINC001336598015 1072469137 /nfs/dbraw/zinc/46/91/37/1072469137.db2.gz CEUKIQVIQMGOOQ-KBPBESRZSA-N -1 0 414.509 -1.216 20 0 HAADRM O=S1(=O)C[C@H](O)[C@H](N2CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CC2)C1 ZINC001336598016 1072468995 /nfs/dbraw/zinc/46/89/95/1072468995.db2.gz CEUKIQVIQMGOOQ-KGLIPLIRSA-N -1 0 414.509 -1.216 20 0 HAADRM O=S1(=O)C[C@H](N2CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CC2)[C@H](O)C1 ZINC001336598017 1072469091 /nfs/dbraw/zinc/46/90/91/1072469091.db2.gz CEUKIQVIQMGOOQ-UONOGXRCSA-N -1 0 414.509 -1.216 20 0 HAADRM O=S1(=O)C[C@@H](O)[C@H](N2CCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CC2)C1 ZINC001336598018 1072469013 /nfs/dbraw/zinc/46/90/13/1072469013.db2.gz CEUKIQVIQMGOOQ-ZIAGYGMSSA-N -1 0 414.509 -1.216 20 0 HAADRM CN(C[C@@H](O)CNC(=O)c1c[n-]n2c1nccc2=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001338564184 1072472185 /nfs/dbraw/zinc/47/21/85/1072472185.db2.gz KRLVQYOKHFIDAF-JYXMKJBCSA-N -1 0 401.423 -1.005 20 0 HAADRM CN(C[C@H](O)CNC(=O)c1c[n-]n2c1nccc2=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001338564188 1072472219 /nfs/dbraw/zinc/47/22/19/1072472219.db2.gz KRLVQYOKHFIDAF-VOZZTLDKSA-N -1 0 401.423 -1.005 20 0 HAADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001338784921 1072472940 /nfs/dbraw/zinc/47/29/40/1072472940.db2.gz LFFMDHPQJUAYDI-KBPBESRZSA-N -1 0 408.436 -1.054 20 0 HAADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001338784922 1072472742 /nfs/dbraw/zinc/47/27/42/1072472742.db2.gz LFFMDHPQJUAYDI-KGLIPLIRSA-N -1 0 408.436 -1.054 20 0 HAADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001338784923 1072473487 /nfs/dbraw/zinc/47/34/87/1072473487.db2.gz LFFMDHPQJUAYDI-UONOGXRCSA-N -1 0 408.436 -1.054 20 0 HAADRM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001338784924 1072473662 /nfs/dbraw/zinc/47/36/62/1072473662.db2.gz LFFMDHPQJUAYDI-ZIAGYGMSSA-N -1 0 408.436 -1.054 20 0 HAADRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1 ZINC001343580715 1072482588 /nfs/dbraw/zinc/48/25/88/1072482588.db2.gz FVLCXJBOFXEMBY-UHFFFAOYSA-N -1 0 402.520 -1.049 20 0 HAADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001344719866 1072483995 /nfs/dbraw/zinc/48/39/95/1072483995.db2.gz ZTMQIXWKQKEOGS-GHMZBOCLSA-N -1 0 416.481 -1.330 20 0 HAADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001344719868 1072483925 /nfs/dbraw/zinc/48/39/25/1072483925.db2.gz ZTMQIXWKQKEOGS-MNOVXSKESA-N -1 0 416.481 -1.330 20 0 HAADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001344719870 1072483967 /nfs/dbraw/zinc/48/39/67/1072483967.db2.gz ZTMQIXWKQKEOGS-QWRGUYRKSA-N -1 0 416.481 -1.330 20 0 HAADRM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001344719873 1072483979 /nfs/dbraw/zinc/48/39/79/1072483979.db2.gz ZTMQIXWKQKEOGS-WDEREUQCSA-N -1 0 416.481 -1.330 20 0 HAADRM Cn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C(=O)[O-] ZINC001345299664 1072484712 /nfs/dbraw/zinc/48/47/12/1072484712.db2.gz MPAQNCZHKQDMMN-UHFFFAOYSA-N -1 0 400.457 -1.112 20 0 HAADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001440640863 1072497230 /nfs/dbraw/zinc/49/72/30/1072497230.db2.gz SWVMXWRXSRPUQM-LLVKDONJSA-N -1 0 403.482 -1.016 20 0 HAADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001440640867 1072497368 /nfs/dbraw/zinc/49/73/68/1072497368.db2.gz SWVMXWRXSRPUQM-NSHDSACASA-N -1 0 403.482 -1.016 20 0 HAADRM CNS(=O)(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001449407609 1072503909 /nfs/dbraw/zinc/50/39/09/1072503909.db2.gz BDWDYADCWYOHBR-UHFFFAOYSA-N -1 0 412.440 -1.149 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC001463550552 1072516464 /nfs/dbraw/zinc/51/64/64/1072516464.db2.gz DIJHJSGMHKQPPP-UHFFFAOYSA-N -1 0 423.483 -1.071 20 0 HAADRM COCCNC(=O)CN1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001463755123 1072516873 /nfs/dbraw/zinc/51/68/73/1072516873.db2.gz HVDKWUKTALNURT-UHFFFAOYSA-N -1 0 404.427 -1.213 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cn1 ZINC001464465519 1072520800 /nfs/dbraw/zinc/52/08/00/1072520800.db2.gz PLNWKWBRCVHIAK-UHFFFAOYSA-N -1 0 405.502 -1.240 20 0 HAADRM COCCn1cc(N2C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2=O)cn1 ZINC001466838178 1072525204 /nfs/dbraw/zinc/52/52/04/1072525204.db2.gz SRQRBDNAKWVAKS-LLVKDONJSA-N -1 0 401.445 -1.536 20 0 HAADRM COCCn1cc(N2C[C@@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC2=O)cn1 ZINC001466838179 1072525013 /nfs/dbraw/zinc/52/50/13/1072525013.db2.gz SRQRBDNAKWVAKS-NSHDSACASA-N -1 0 401.445 -1.536 20 0 HAADRM NS(=O)(=O)C1(C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC001467269167 1072525190 /nfs/dbraw/zinc/52/51/90/1072525190.db2.gz LRTPVHXHOFATCH-UHFFFAOYSA-N -1 0 408.424 -1.215 20 0 HAADRM CN1C(=O)CN(CC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC001467270297 1072525081 /nfs/dbraw/zinc/52/50/81/1072525081.db2.gz RLKGOCIFARFEII-UHFFFAOYSA-N -1 0 415.394 -1.142 20 0 HAADRM O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001467279312 1072525153 /nfs/dbraw/zinc/52/51/53/1072525153.db2.gz BRQFWXNKOYWHIJ-AXFHLTTASA-N -1 0 400.486 -1.148 20 0 HAADRM O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001467279316 1072525038 /nfs/dbraw/zinc/52/50/38/1072525038.db2.gz BRQFWXNKOYWHIJ-DCAQKATOSA-N -1 0 400.486 -1.148 20 0 HAADRM O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001467279317 1072525120 /nfs/dbraw/zinc/52/51/20/1072525120.db2.gz BRQFWXNKOYWHIJ-GARJFASQSA-N -1 0 400.486 -1.148 20 0 HAADRM O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001467279318 1072524976 /nfs/dbraw/zinc/52/49/76/1072524976.db2.gz BRQFWXNKOYWHIJ-HBNTYKKESA-N -1 0 400.486 -1.148 20 0 HAADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001474902660 1072540767 /nfs/dbraw/zinc/54/07/67/1072540767.db2.gz DPAQWXXFLXYLCA-NEPJUHHUSA-N -1 0 403.548 -1.174 20 0 HAADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001474902661 1072540984 /nfs/dbraw/zinc/54/09/84/1072540984.db2.gz DPAQWXXFLXYLCA-NWDGAFQWSA-N -1 0 403.548 -1.174 20 0 HAADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001474902662 1072541016 /nfs/dbraw/zinc/54/10/16/1072541016.db2.gz DPAQWXXFLXYLCA-RYUDHWBXSA-N -1 0 403.548 -1.174 20 0 HAADRM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001474902663 1072540804 /nfs/dbraw/zinc/54/08/04/1072540804.db2.gz DPAQWXXFLXYLCA-VXGBXAGGSA-N -1 0 403.548 -1.174 20 0 HAADRM O=S(=O)([N-]CC(F)(F)F)NC1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC001475214647 1072542507 /nfs/dbraw/zinc/54/25/07/1072542507.db2.gz ZLGFHHRLUOEYPL-NXEZZACHSA-N -1 0 411.424 -1.473 20 0 HAADRM CO[N-]C(=O)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001475744944 1072545194 /nfs/dbraw/zinc/54/51/94/1072545194.db2.gz IKBHBJAMXZELMZ-UHFFFAOYSA-N -1 0 407.470 -1.028 20 0 HAADRM CCn1[n-]nnc1=NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001476594293 1072545708 /nfs/dbraw/zinc/54/57/08/1072545708.db2.gz LHYHSOZZNOHBTE-RYUDHWBXSA-N -1 0 402.481 -1.382 20 0 HAADRM CCn1[n-]nnc1=NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001476594294 1072545675 /nfs/dbraw/zinc/54/56/75/1072545675.db2.gz LHYHSOZZNOHBTE-TXEJJXNPSA-N -1 0 402.481 -1.382 20 0 HAADRM CCn1[n-]nnc1=NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001476594295 1072545644 /nfs/dbraw/zinc/54/56/44/1072545644.db2.gz LHYHSOZZNOHBTE-VXGBXAGGSA-N -1 0 402.481 -1.382 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001542965126 1072587571 /nfs/dbraw/zinc/58/75/71/1072587571.db2.gz HIBMJXNJXYHMEC-GFCCVEGCSA-N -1 0 403.461 -1.573 20 0 HAADRM O=C(Cn1c(=O)[n-][nH]c1=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001542965127 1072587485 /nfs/dbraw/zinc/58/74/85/1072587485.db2.gz HIBMJXNJXYHMEC-LBPRGKRZSA-N -1 0 403.461 -1.573 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)CN3CCNC(=O)C3)ncnc1-2 ZINC001543058898 1072588040 /nfs/dbraw/zinc/58/80/40/1072588040.db2.gz ZFSSHUCIRATSNV-UHFFFAOYSA-N -1 0 411.264 -1.541 20 0 HAADRM O=C(CC[C@H]1NC(=O)NC1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001556264124 1072600537 /nfs/dbraw/zinc/60/05/37/1072600537.db2.gz UDJUHFGFSDKXJA-SECBINFHSA-N -1 0 415.394 -1.048 20 0 HAADRM O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001556264125 1072600636 /nfs/dbraw/zinc/60/06/36/1072600636.db2.gz UDJUHFGFSDKXJA-VIFPVBQESA-N -1 0 415.394 -1.048 20 0 HAADRM CNS(=O)(=O)NCC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001556264474 1072600551 /nfs/dbraw/zinc/60/05/51/1072600551.db2.gz LMSRINKXLRAWSX-UHFFFAOYSA-N -1 0 411.428 -1.983 20 0 HAADRM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)O1 ZINC001556264652 1072600609 /nfs/dbraw/zinc/60/06/09/1072600609.db2.gz WJAXNGXQVQZYRP-VHSXEESVSA-N -1 0 402.395 -1.003 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@@]12COCCN1C(=O)COC2 ZINC001557973600 1072608301 /nfs/dbraw/zinc/60/83/01/1072608301.db2.gz IQRFPEHWTNWVFE-INIZCTEOSA-N -1 0 419.406 -1.013 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@]12COCCN1C(=O)COC2 ZINC001557973604 1072608228 /nfs/dbraw/zinc/60/82/28/1072608228.db2.gz IQRFPEHWTNWVFE-MRXNPFEDSA-N -1 0 419.406 -1.013 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001558505527 1072610124 /nfs/dbraw/zinc/61/01/24/1072610124.db2.gz JGUAHQPQTLOXHD-SECBINFHSA-N -1 0 410.424 -1.396 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001558505529 1072610115 /nfs/dbraw/zinc/61/01/15/1072610115.db2.gz JGUAHQPQTLOXHD-VIFPVBQESA-N -1 0 410.424 -1.396 20 0 HAADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC001561556638 1072616096 /nfs/dbraw/zinc/61/60/96/1072616096.db2.gz YOLDSONJNQBEOP-MRVPVSSYSA-N -1 0 419.469 -1.381 20 0 HAADRM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC001561556639 1072616048 /nfs/dbraw/zinc/61/60/48/1072616048.db2.gz YOLDSONJNQBEOP-QMMMGPOBSA-N -1 0 419.469 -1.381 20 0 HAADRM CCO[N-]C(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001565024583 1072623336 /nfs/dbraw/zinc/62/33/36/1072623336.db2.gz ZPYROXVCHUJACR-UHFFFAOYSA-N -1 0 414.488 -1.100 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCC(=O)NCCN3CCOCC3)cc2=O)n1 ZINC001565584125 1072625494 /nfs/dbraw/zinc/62/54/94/1072625494.db2.gz LFUUFEXIKGHUBF-UHFFFAOYSA-N -1 0 403.443 -1.249 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)[C@H]3OCCN(C)C3=O)ncnc1-2 ZINC001565641870 1072625579 /nfs/dbraw/zinc/62/55/79/1072625579.db2.gz MGTFCFBEALGUMR-SECBINFHSA-N -1 0 412.248 -1.115 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)[C@@H]3OCCN(C)C3=O)ncnc1-2 ZINC001565641871 1072626209 /nfs/dbraw/zinc/62/62/09/1072626209.db2.gz MGTFCFBEALGUMR-VIFPVBQESA-N -1 0 412.248 -1.115 20 0 HAADRM O=C(CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001565965281 1072626703 /nfs/dbraw/zinc/62/67/03/1072626703.db2.gz CWKQQIZAFPGSEV-GFCCVEGCSA-N -1 0 422.467 -1.916 20 0 HAADRM O=C(CN1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001565965282 1072626795 /nfs/dbraw/zinc/62/67/95/1072626795.db2.gz CWKQQIZAFPGSEV-LBPRGKRZSA-N -1 0 422.467 -1.916 20 0 HAADRM CN1CCO[C@H](C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC001567789379 1072628476 /nfs/dbraw/zinc/62/84/76/1072628476.db2.gz BLSBERDUSBGIJP-JTQLQIEISA-N -1 0 402.395 -1.179 20 0 HAADRM CN1CCO[C@@H](C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC001567789380 1072628616 /nfs/dbraw/zinc/62/86/16/1072628616.db2.gz BLSBERDUSBGIJP-SNVBAGLBSA-N -1 0 402.395 -1.179 20 0 HAADRM CNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC001568985363 1072629694 /nfs/dbraw/zinc/62/96/94/1072629694.db2.gz AAFLPDGDCWAXTB-UHFFFAOYSA-N -1 0 406.486 -1.136 20 0 HAADRM CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1c[n-]n2c1nccc2=O ZINC001572474084 1072631646 /nfs/dbraw/zinc/63/16/46/1072631646.db2.gz FRRIRWGHDDOMGA-JYXMKJBCSA-N -1 0 401.423 -1.005 20 0 HAADRM CN(C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1c[n-]n2c1nccc2=O ZINC001572474085 1072631629 /nfs/dbraw/zinc/63/16/29/1072631629.db2.gz FRRIRWGHDDOMGA-VOZZTLDKSA-N -1 0 401.423 -1.005 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)CCNC(=O)CO)ncnc1-2 ZINC001585375220 1072636408 /nfs/dbraw/zinc/63/64/08/1072636408.db2.gz KPSPMQOWBSSKPU-UHFFFAOYSA-N -1 0 400.237 -1.474 20 0 HAADRM O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001586754180 1072638671 /nfs/dbraw/zinc/63/86/71/1072638671.db2.gz JWERXKXPEVVTPK-AWEZNQCLSA-N -1 0 416.438 -1.071 20 0 HAADRM O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001586754181 1072638716 /nfs/dbraw/zinc/63/87/16/1072638716.db2.gz JWERXKXPEVVTPK-CQSZACIVSA-N -1 0 416.438 -1.071 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN4C(=O)NC[C@@H]4C3)c(CCO)c2=O)n1 ZINC001587380134 1072640377 /nfs/dbraw/zinc/64/03/77/1072640377.db2.gz QBEUTVSOCBDOQP-GFCCVEGCSA-N -1 0 401.427 -1.043 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN4C(=O)NC[C@H]4C3)c(CCO)c2=O)n1 ZINC001587380135 1072640321 /nfs/dbraw/zinc/64/03/21/1072640321.db2.gz QBEUTVSOCBDOQP-LBPRGKRZSA-N -1 0 401.427 -1.043 20 0 HAADRM O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001587825452 1072641410 /nfs/dbraw/zinc/64/14/10/1072641410.db2.gz XDBPKFWTWDFJGD-UHFFFAOYSA-N -1 0 416.438 -1.117 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001595548450 1072643694 /nfs/dbraw/zinc/64/36/94/1072643694.db2.gz VXDZUZGZFQBBPA-UHFFFAOYSA-N -1 0 405.506 -1.761 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC001596864112 1072645747 /nfs/dbraw/zinc/64/57/47/1072645747.db2.gz ZHNCVTLNNHRGBM-UHFFFAOYSA-N -1 0 423.451 -1.114 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCC(=O)N3CCN(C)CC3)c(CCO)c2=O)n1 ZINC001607896753 1072649436 /nfs/dbraw/zinc/64/94/36/1072649436.db2.gz KZDADXDJVKXHBL-UHFFFAOYSA-N -1 0 417.470 -1.389 20 0 HAADRM Cn1cnn(CCC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)c1=O ZINC001616884719 1072657279 /nfs/dbraw/zinc/65/72/79/1072657279.db2.gz ATFPMPSNHBCIMJ-UHFFFAOYSA-N -1 0 414.410 -1.051 20 0 HAADRM CNS(=O)(=O)c1cc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)ccc1[O-] ZINC001623733059 1072674944 /nfs/dbraw/zinc/67/49/44/1072674944.db2.gz LJRFMIMGNGDNDY-UHFFFAOYSA-N -1 0 406.486 -1.184 20 0 HAADRM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001625566904 1072679573 /nfs/dbraw/zinc/67/95/73/1072679573.db2.gz OJLNLYDEIHSKES-MRVPVSSYSA-N -1 0 410.440 -1.099 20 0 HAADRM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001625566905 1072679600 /nfs/dbraw/zinc/67/96/00/1072679600.db2.gz OJLNLYDEIHSKES-QMMMGPOBSA-N -1 0 410.440 -1.099 20 0 HAADRM O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001625567143 1072679637 /nfs/dbraw/zinc/67/96/37/1072679637.db2.gz WXVBXUMWLWKSAE-UHFFFAOYSA-N -1 0 413.378 -1.074 20 0 HAADRM O=C(CN1C(=O)CNC1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001625567153 1072680081 /nfs/dbraw/zinc/68/00/81/1072680081.db2.gz XMIBVADIGGUMTP-UHFFFAOYSA-N -1 0 401.367 -1.485 20 0 HAADRM O=C(CN1CCNC(=O)C1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001625571883 1072680206 /nfs/dbraw/zinc/68/02/06/1072680206.db2.gz BFJCHDSOUKBRQD-UHFFFAOYSA-N -1 0 401.411 -1.605 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2=O)n1 ZINC001625672142 1072680006 /nfs/dbraw/zinc/68/00/06/1072680006.db2.gz VFNKUDAMNLWXNQ-UHFFFAOYSA-N -1 0 423.499 -1.121 20 0 HAADRM COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001628164853 1072685514 /nfs/dbraw/zinc/68/55/14/1072685514.db2.gz PWUVETOUZMQAFY-UHFFFAOYSA-N -1 0 401.441 -1.013 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)[C@H]3CCS(=O)(=O)N3)ncnc1-2 ZINC001628476343 1072685851 /nfs/dbraw/zinc/68/58/51/1072685851.db2.gz XZNKHSKEBRKMRZ-SSDOTTSWSA-N -1 0 418.277 -1.281 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)[C@@H]3CCS(=O)(=O)N3)ncnc1-2 ZINC001628476344 1072686064 /nfs/dbraw/zinc/68/60/64/1072686064.db2.gz XZNKHSKEBRKMRZ-ZETCQYMHSA-N -1 0 418.277 -1.281 20 0 HAADRM CN1CCN(S(=O)(=O)N2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)CC2)CC1 ZINC001629830220 1072690275 /nfs/dbraw/zinc/69/02/75/1072690275.db2.gz SAGDZZKJFPNNSI-UHFFFAOYSA-N -1 0 417.492 -1.894 20 0 HAADRM CC(C)Cn1[n-]c(CC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1=O ZINC001633012494 1072700203 /nfs/dbraw/zinc/70/02/03/1072700203.db2.gz UIUAINMFDHWOKH-UHFFFAOYSA-N -1 0 405.459 -1.136 20 0 HAADRM CN1CC(=O)N(CC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1=O ZINC001633342683 1072701700 /nfs/dbraw/zinc/70/17/00/1072701700.db2.gz BIPGKPFKRDUVRX-UHFFFAOYSA-N -1 0 415.394 -1.142 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001633939190 1072702833 /nfs/dbraw/zinc/70/28/33/1072702833.db2.gz HGUCIYQBUMOMAT-GXTWGEPZSA-N -1 0 415.443 -1.088 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001633939191 1072702757 /nfs/dbraw/zinc/70/27/57/1072702757.db2.gz HGUCIYQBUMOMAT-JSGCOSHPSA-N -1 0 415.443 -1.088 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001633939192 1072702784 /nfs/dbraw/zinc/70/27/84/1072702784.db2.gz HGUCIYQBUMOMAT-OCCSQVGLSA-N -1 0 415.443 -1.088 20 0 HAADRM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001633939193 1072702739 /nfs/dbraw/zinc/70/27/39/1072702739.db2.gz HGUCIYQBUMOMAT-TZMCWYRMSA-N -1 0 415.443 -1.088 20 0 HAADRM O=C(CN1CCC(=O)NC1=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001634475460 1072704644 /nfs/dbraw/zinc/70/46/44/1072704644.db2.gz DYQJNHOYGXHZEL-UHFFFAOYSA-N -1 0 415.394 -1.094 20 0 HAADRM O=C(c1nc2n(n1)CCCN2)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001634475662 1072704633 /nfs/dbraw/zinc/70/46/33/1072704633.db2.gz KXMRQSYWDUORKS-UHFFFAOYSA-N -1 0 411.410 -1.058 20 0 HAADRM CC(=O)NCC(=O)NCC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001638982352 1072719410 /nfs/dbraw/zinc/71/94/10/1072719410.db2.gz LREQWXKAPADIJO-UHFFFAOYSA-N -1 0 417.410 -1.784 20 0 HAADRM CS(=O)(=O)NCCC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001638982368 1072719423 /nfs/dbraw/zinc/71/94/23/1072719423.db2.gz MMXBUSYJAOOUAW-UHFFFAOYSA-N -1 0 410.440 -1.097 20 0 HAADRM CS(=O)(=O)N1CC(C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C1 ZINC001638986612 1072719417 /nfs/dbraw/zinc/71/94/17/1072719417.db2.gz GFRAAAWRCFBKPO-UHFFFAOYSA-N -1 0 422.451 -1.145 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(N4CC[C@@H](O)C4)C3)c(CCO)c2=O)n1 ZINC001639836057 1072721802 /nfs/dbraw/zinc/72/18/02/1072721802.db2.gz DNBPCBNWKOUSLW-CQSZACIVSA-N -1 0 402.455 -1.002 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCc1nnc2n1CCNC2=O ZINC001643664439 1072732716 /nfs/dbraw/zinc/73/27/16/1072732716.db2.gz IAYZKFWEMABMIF-UHFFFAOYSA-N -1 0 400.367 -1.106 20 0 HAADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCc1nnc2n1CCNC2=O ZINC001644737892 1072735768 /nfs/dbraw/zinc/73/57/68/1072735768.db2.gz VGVNCKOTFJAVKL-UHFFFAOYSA-N -1 0 414.394 -1.063 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC001645250038 1072737690 /nfs/dbraw/zinc/73/76/90/1072737690.db2.gz JOPJHIWKHYQOKU-JTQLQIEISA-N -1 0 404.470 -1.383 20 0 HAADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC001645250039 1072737771 /nfs/dbraw/zinc/73/77/71/1072737771.db2.gz JOPJHIWKHYQOKU-SNVBAGLBSA-N -1 0 404.470 -1.383 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCOC[C@H]3CNS(C)(=O)=O)cc2=O)n1 ZINC001648330060 1072744016 /nfs/dbraw/zinc/74/40/16/1072744016.db2.gz OORIZENOBZYKLY-GFCCVEGCSA-N -1 0 410.456 -1.037 20 0 HAADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)cc2=O)n1 ZINC001648330061 1072743938 /nfs/dbraw/zinc/74/39/38/1072743938.db2.gz OORIZENOBZYKLY-LBPRGKRZSA-N -1 0 410.456 -1.037 20 0 HAADRM O=C(CN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001653633223 1072751477 /nfs/dbraw/zinc/75/14/77/1072751477.db2.gz VVMZSFISRPMZQY-CYBMUJFWSA-N -1 0 408.484 -1.557 20 0 HAADRM O=C(CN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001653633224 1072751495 /nfs/dbraw/zinc/75/14/95/1072751495.db2.gz VVMZSFISRPMZQY-ZDUSSCGKSA-N -1 0 408.484 -1.557 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cn1 ZINC001654258835 1072753097 /nfs/dbraw/zinc/75/30/97/1072753097.db2.gz GHWBGEZWEMQAFP-CHWSQXEVSA-N -1 0 418.497 -1.631 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cn1 ZINC001654258836 1072753182 /nfs/dbraw/zinc/75/31/82/1072753182.db2.gz GHWBGEZWEMQAFP-OLZOCXBDSA-N -1 0 418.497 -1.631 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cn1 ZINC001654258837 1072753171 /nfs/dbraw/zinc/75/31/71/1072753171.db2.gz GHWBGEZWEMQAFP-QWHCGFSZSA-N -1 0 418.497 -1.631 20 0 HAADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cn1 ZINC001654258838 1072753158 /nfs/dbraw/zinc/75/31/58/1072753158.db2.gz GHWBGEZWEMQAFP-STQMWFEESA-N -1 0 418.497 -1.631 20 0 HAADRM Cc1nn(CCS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(=O)o1 ZINC001655295876 1072755221 /nfs/dbraw/zinc/75/52/21/1072755221.db2.gz UTKADVYXXIWZMG-MRVPVSSYSA-N -1 0 410.396 -1.114 20 0 HAADRM Cc1nn(CCS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(=O)o1 ZINC001655295877 1072755148 /nfs/dbraw/zinc/75/51/48/1072755148.db2.gz UTKADVYXXIWZMG-QMMMGPOBSA-N -1 0 410.396 -1.114 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)N[C@@H]3COC[C@@H]3O)ncnc1-2 ZINC001668508837 1072776102 /nfs/dbraw/zinc/77/61/02/1072776102.db2.gz FYKMKQNMXMWFBL-SFYZADRCSA-N -1 0 400.237 -1.030 20 0 HAADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001676640174 1072782314 /nfs/dbraw/zinc/78/23/14/1072782314.db2.gz FXVBDKKCDVEEPW-GFCCVEGCSA-N -1 0 401.493 -1.024 20 0 HAADRM CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1 ZINC001676640192 1072782380 /nfs/dbraw/zinc/78/23/80/1072782380.db2.gz FXVBDKKCDVEEPW-LBPRGKRZSA-N -1 0 401.493 -1.024 20 0 HAADRM Cn1nnc(CNC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC001682017203 1072789490 /nfs/dbraw/zinc/78/94/90/1072789490.db2.gz ZGQUQJLODJYDPF-UHFFFAOYSA-N -1 0 400.387 -1.130 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)N3C[C@H](O)[C@@H](CO)C3)ncnc1-2 ZINC001684049271 1072793859 /nfs/dbraw/zinc/79/38/59/1072793859.db2.gz PLQFKQATMIAKAR-BDAKNGLRSA-N -1 0 414.264 -1.094 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)N3C[C@@H](O)[C@H](CO)C3)ncnc1-2 ZINC001684049275 1072793783 /nfs/dbraw/zinc/79/37/83/1072793783.db2.gz PLQFKQATMIAKAR-DTWKUNHWSA-N -1 0 414.264 -1.094 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)N3C[C@H](O)[C@H](CO)C3)ncnc1-2 ZINC001684049277 1072793757 /nfs/dbraw/zinc/79/37/57/1072793757.db2.gz PLQFKQATMIAKAR-IUCAKERBSA-N -1 0 414.264 -1.094 20 0 HAADRM Cn1[n-]c(Br)c2c(=NCCNC(=O)N3C[C@H](CO)[C@H](O)C3)ncnc1-2 ZINC001684049279 1072793706 /nfs/dbraw/zinc/79/37/06/1072793706.db2.gz PLQFKQATMIAKAR-RKDXNWHRSA-N -1 0 414.264 -1.094 20 0 HAADRM CO[N-]C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC001684448013 1072795525 /nfs/dbraw/zinc/79/55/25/1072795525.db2.gz BESYATRJWJALDH-UHFFFAOYSA-N -1 0 411.440 -1.125 20 0 HAADRM CCO[N-]C(=O)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001686960197 1072800168 /nfs/dbraw/zinc/80/01/68/1072800168.db2.gz KTIDFTVFFIOYRN-BETUJISGSA-N -1 0 407.493 -1.265 20 0 HAADRM CCO[N-]C(=O)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001686960198 1072800266 /nfs/dbraw/zinc/80/02/66/1072800266.db2.gz KTIDFTVFFIOYRN-CHWSQXEVSA-N -1 0 407.493 -1.265 20 0 HAADRM CCO[N-]C(=O)CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001686960199 1072800100 /nfs/dbraw/zinc/80/01/00/1072800100.db2.gz KTIDFTVFFIOYRN-STQMWFEESA-N -1 0 407.493 -1.265 20 0 HAADRM