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CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000517189087 1067046176 /nfs/dbraw/zinc/04/61/76/1067046176.db2.gz KBDWQPDDSIVGOJ-UHFFFAOYSA-N 0 0 495.558 -1.159 20 0 JAADRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2)CC1 ZINC000517193170 1067046059 /nfs/dbraw/zinc/04/60/59/1067046059.db2.gz NEGFHZFOBMLTMZ-UHFFFAOYSA-N 0 0 491.567 -1.196 20 0 JAADRN Cn1c(=O)c2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4cccnc4)CC3)cnc2n(C)c1=O ZINC000517193462 1067046118 /nfs/dbraw/zinc/04/61/18/1067046118.db2.gz SSFULXNBAIYZPU-UHFFFAOYSA-N 0 0 487.498 -1.501 20 0 JAADRN CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC000517193707 1067046270 /nfs/dbraw/zinc/04/62/70/1067046270.db2.gz VLURLRNTBQRPCB-UHFFFAOYSA-N 0 0 466.564 -1.037 20 0 JAADRN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000517275314 1067046810 /nfs/dbraw/zinc/04/68/10/1067046810.db2.gz ANVCVBVUWLATCH-UHFFFAOYSA-N 0 0 469.520 -1.286 20 0 JAADRN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000517275607 1067046461 /nfs/dbraw/zinc/04/64/61/1067046461.db2.gz LMJCSPKYDPSYAG-UHFFFAOYSA-N 0 0 483.547 -1.139 20 0 JAADRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC000517275670 1067046488 /nfs/dbraw/zinc/04/64/88/1067046488.db2.gz JSDJGIBXBSZMRB-UHFFFAOYSA-N 0 0 475.502 -1.348 20 0 JAADRN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000517275770 1067046617 /nfs/dbraw/zinc/04/66/17/1067046617.db2.gz NYUKMQGUKBLMON-UHFFFAOYSA-N 0 0 483.547 -1.139 20 0 JAADRN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC000517276367 1067046748 /nfs/dbraw/zinc/04/67/48/1067046748.db2.gz XXIHURLYEBRAGM-UHFFFAOYSA-N 0 0 496.590 -1.272 20 0 JAADRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)CC1 ZINC000517277000 1067046734 /nfs/dbraw/zinc/04/67/34/1067046734.db2.gz VUJCNPZQKQQNDR-UHFFFAOYSA-N 0 0 462.536 -1.158 20 0 JAADRN CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000517277329 1067046542 /nfs/dbraw/zinc/04/65/42/1067046542.db2.gz DFTQABCRYFCGDF-UHFFFAOYSA-N 0 0 468.941 -1.035 20 0 JAADRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1-n1cnnn1 ZINC000517279083 1067046665 /nfs/dbraw/zinc/04/66/65/1067046665.db2.gz FAOILCDHTDHLQZ-UHFFFAOYSA-N 0 0 477.551 -1.454 20 0 JAADRN O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000517279187 1067046561 /nfs/dbraw/zinc/04/65/61/1067046561.db2.gz KAEBMHFSIWGNKY-UHFFFAOYSA-N 0 0 495.558 -1.181 20 0 JAADRN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000517279258 1067046587 /nfs/dbraw/zinc/04/65/87/1067046587.db2.gz LGLUEAYLEQEANB-UHFFFAOYSA-N 0 0 478.524 -1.111 20 0 JAADRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OCC(N)=O ZINC000517279334 1067046827 /nfs/dbraw/zinc/04/68/27/1067046827.db2.gz KVABDUSFSGMMLR-UHFFFAOYSA-N 0 0 498.562 -1.866 20 0 JAADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)C[C@H](C)O1 ZINC000517279356 1067046721 /nfs/dbraw/zinc/04/67/21/1067046721.db2.gz ODEHQNOATJNSCC-GASCZTMLSA-N 0 0 483.547 -1.013 20 0 JAADRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)C[C@H](C)O1 ZINC000517279359 1067046779 /nfs/dbraw/zinc/04/67/79/1067046779.db2.gz ODEHQNOATJNSCC-GJZGRUSLSA-N 0 0 483.547 -1.013 20 0 JAADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)C[C@@H](C)O1 ZINC000517279361 1067046794 /nfs/dbraw/zinc/04/67/94/1067046794.db2.gz ODEHQNOATJNSCC-HUUCEWRRSA-N 0 0 483.547 -1.013 20 0 JAADRN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c2ccccc2O1 ZINC000517279706 1067046505 /nfs/dbraw/zinc/04/65/05/1067046505.db2.gz APDOUVLQKGATNL-GOSISDBHSA-N 0 0 495.558 -1.410 20 0 JAADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c2ccccc2O1 ZINC000517279711 1067046695 /nfs/dbraw/zinc/04/66/95/1067046695.db2.gz APDOUVLQKGATNL-SFHVURJKSA-N 0 0 495.558 -1.410 20 0 JAADRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)CC1 ZINC000517279829 1067046767 /nfs/dbraw/zinc/04/67/67/1067046767.db2.gz DDRUNVXTNIARRM-UHFFFAOYSA-N 0 0 463.524 -1.763 20 0 JAADRN O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000517280201 1067046631 /nfs/dbraw/zinc/04/66/31/1067046631.db2.gz ZTSHSLURIIXGGK-UHFFFAOYSA-N 0 0 450.481 -1.678 20 0 JAADRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)CC1 ZINC000517280463 1067046648 /nfs/dbraw/zinc/04/66/48/1067046648.db2.gz NCQCUIUNFYYIGY-UHFFFAOYSA-N 0 0 476.563 -1.099 20 0 JAADRN O=C(NCCCN1C(=O)CNC1=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000517463197 1067047260 /nfs/dbraw/zinc/04/72/60/1067047260.db2.gz FIALWVUSQPWMDZ-INIZCTEOSA-N 0 0 459.459 -1.303 20 0 JAADRN O=C(NCCCN1C(=O)CNC1=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000517463198 1067047090 /nfs/dbraw/zinc/04/70/90/1067047090.db2.gz FIALWVUSQPWMDZ-MRXNPFEDSA-N 0 0 459.459 -1.303 20 0 JAADRN CS(=O)(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000517527208 1067047139 /nfs/dbraw/zinc/04/71/39/1067047139.db2.gz JYIQMMZGRLMHLQ-UHFFFAOYSA-N 0 0 461.522 -1.417 20 0 JAADRN Cn1ncc2c1ncn(CC(=O)N1CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC1)c2=O ZINC000517534765 1067047047 /nfs/dbraw/zinc/04/70/47/1067047047.db2.gz BVTCWIXKBPKINH-UHFFFAOYSA-N 0 0 487.498 -1.006 20 0 JAADRN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(OCC(=O)N(C)C)c1 ZINC000517853181 1067047276 /nfs/dbraw/zinc/04/72/76/1067047276.db2.gz DCKLAMZIMXMKMM-UHFFFAOYSA-N 0 0 489.529 -1.070 20 0 JAADRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)c2)CC1 ZINC000517853685 1067047111 /nfs/dbraw/zinc/04/71/11/1067047111.db2.gz QQNOYHIXXMHPIW-UHFFFAOYSA-N 0 0 467.548 -1.074 20 0 JAADRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000517858984 1067047296 /nfs/dbraw/zinc/04/72/96/1067047296.db2.gz LXZQGXYYXUESQM-UHFFFAOYSA-N 0 0 463.476 -1.903 20 0 JAADRN O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000517860073 1067047173 /nfs/dbraw/zinc/04/71/73/1067047173.db2.gz JMDKAZPJZBNWHE-UHFFFAOYSA-N 0 0 493.586 -1.137 20 0 JAADRN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)CC1 ZINC000517860300 1067047207 /nfs/dbraw/zinc/04/72/07/1067047207.db2.gz URKHKOTXCAZSOM-UHFFFAOYSA-N 0 0 470.530 -1.038 20 0 JAADRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000517863318 1067047001 /nfs/dbraw/zinc/04/70/01/1067047001.db2.gz RQTCPFJPDJLBKB-UHFFFAOYSA-N 0 0 477.503 -1.513 20 0 JAADRN O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)NCCN1CCOCC1 ZINC000517888540 1067046949 /nfs/dbraw/zinc/04/69/49/1067046949.db2.gz DLLWAMOMCCGHAZ-UHFFFAOYSA-N 0 0 453.521 -2.015 20 0 JAADRN Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)cnc2n(C)c1=O ZINC000517918035 1067047031 /nfs/dbraw/zinc/04/70/31/1067047031.db2.gz FMFSMKHUKSILOP-GFCCVEGCSA-N 0 0 471.426 -1.145 20 0 JAADRN Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)cnc2n(C)c1=O ZINC000517918036 1067046967 /nfs/dbraw/zinc/04/69/67/1067046967.db2.gz FMFSMKHUKSILOP-LBPRGKRZSA-N 0 0 471.426 -1.145 20 0 JAADRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000517920522 1067047498 /nfs/dbraw/zinc/04/74/98/1067047498.db2.gz PJAHYBNYWQFNPN-HNNXBMFYSA-N 0 0 454.505 -1.003 20 0 JAADRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000517920523 1067047738 /nfs/dbraw/zinc/04/77/38/1067047738.db2.gz PJAHYBNYWQFNPN-OAHLLOKOSA-N 0 0 454.505 -1.003 20 0 JAADRN C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000517943559 1067047823 /nfs/dbraw/zinc/04/78/23/1067047823.db2.gz LLQKCCLKEKHHEZ-AWEZNQCLSA-N 0 0 453.521 -1.418 20 0 JAADRN C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000517943560 1067047667 /nfs/dbraw/zinc/04/76/67/1067047667.db2.gz LLQKCCLKEKHHEZ-CQSZACIVSA-N 0 0 453.521 -1.418 20 0 JAADRN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000517948510 1067047683 /nfs/dbraw/zinc/04/76/83/1067047683.db2.gz YDJJGDPZWSJRSU-UHFFFAOYSA-N 0 0 496.590 -1.224 20 0 JAADRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)CC1 ZINC000517954664 1067047621 /nfs/dbraw/zinc/04/76/21/1067047621.db2.gz YRIWARHGACPXKH-UHFFFAOYSA-N 0 0 461.566 -1.383 20 0 JAADRN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](O)COc1ccc3c(c1)CCC(=O)N3)c(=O)n2C ZINC000518048078 1067047841 /nfs/dbraw/zinc/04/78/41/1067047841.db2.gz FYULHVISCJZTOQ-CYBMUJFWSA-N 0 0 456.459 -1.126 20 0 JAADRN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](O)COc1ccc3c(c1)CCC(=O)N3)c(=O)n2C ZINC000518048079 1067047636 /nfs/dbraw/zinc/04/76/36/1067047636.db2.gz FYULHVISCJZTOQ-ZDUSSCGKSA-N 0 0 456.459 -1.126 20 0 JAADRN CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000518066902 1067047721 /nfs/dbraw/zinc/04/77/21/1067047721.db2.gz KNQWQWWPTSVYCS-HNNXBMFYSA-N 0 0 456.521 -1.105 20 0 JAADRN 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O=C(C(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892985 1067133626 /nfs/dbraw/zinc/13/36/26/1067133626.db2.gz ANCDYRGLEDSLRF-YPIYEQTHSA-N 0 0 490.534 -1.037 20 0 JAADRN O=C(C(=O)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893709 1067133772 /nfs/dbraw/zinc/13/37/72/1067133772.db2.gz DRTLRVAIYZSFGJ-HSALFYBXSA-N 0 0 460.487 -1.204 20 0 JAADRN O=C(C(=O)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893713 1067133645 /nfs/dbraw/zinc/13/36/45/1067133645.db2.gz DRTLRVAIYZSFGJ-SLFFLAALSA-N 0 0 460.487 -1.204 20 0 JAADRN O=C(C(=O)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893714 1067133599 /nfs/dbraw/zinc/13/35/99/1067133599.db2.gz DRTLRVAIYZSFGJ-VAMGGRTRSA-N 0 0 460.487 -1.204 20 0 JAADRN O=C(C(=O)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893716 1067134008 /nfs/dbraw/zinc/13/40/08/1067134008.db2.gz DRTLRVAIYZSFGJ-XUVXKRRUSA-N 0 0 460.487 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FBOHCKULOCGDJG-ARLBYUKCSA-N 0 0 464.537 -2.548 20 0 JAADRN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144893919 1067134704 /nfs/dbraw/zinc/13/47/04/1067134704.db2.gz FBOHCKULOCGDJG-DRPJVOAASA-N 0 0 464.537 -2.548 20 0 JAADRN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144893921 1067134697 /nfs/dbraw/zinc/13/46/97/1067134697.db2.gz FBOHCKULOCGDJG-LCGIIJARSA-N 0 0 464.537 -2.548 20 0 JAADRN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144893922 1067134644 /nfs/dbraw/zinc/13/46/44/1067134644.db2.gz FBOHCKULOCGDJG-QCEMKRCNSA-N 0 0 464.537 -2.548 20 0 JAADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)O1)c1cscn1 ZINC001144894318 1067134528 /nfs/dbraw/zinc/13/45/28/1067134528.db2.gz GENLPGQNNMKNOV-FRIAEVHDSA-N 0 0 457.505 -1.943 20 0 JAADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)O1)c1cscn1 ZINC001144894321 1067134661 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CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@]21CCNC1=O ZINC001144894346 1067134720 /nfs/dbraw/zinc/13/47/20/1067134720.db2.gz GEXNMIPRNJFWSE-IAUXLLLPSA-N 0 0 457.480 -2.784 20 0 JAADRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@]21CCNC1=O ZINC001144894348 1067134632 /nfs/dbraw/zinc/13/46/32/1067134632.db2.gz GEXNMIPRNJFWSE-WLYVCJMHSA-N 0 0 457.480 -2.784 20 0 JAADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)cs1 ZINC001144894542 1067134508 /nfs/dbraw/zinc/13/45/08/1067134508.db2.gz GYUSGEZXMGSOED-BASLNEPJSA-N 0 0 454.505 -1.533 20 0 JAADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)cs1 ZINC001144894543 1067134672 /nfs/dbraw/zinc/13/46/72/1067134672.db2.gz GYUSGEZXMGSOED-ISWURRPUSA-N 0 0 454.505 -1.533 20 0 JAADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)cs1 ZINC001144894544 1067134624 /nfs/dbraw/zinc/13/46/24/1067134624.db2.gz GYUSGEZXMGSOED-VDNDLQMASA-N 0 0 454.505 -1.533 20 0 JAADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)cs1 ZINC001144894545 1067134557 /nfs/dbraw/zinc/13/45/57/1067134557.db2.gz GYUSGEZXMGSOED-VJUNAUMWSA-N 0 0 454.505 -1.533 20 0 JAADRN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144894649 1067134727 /nfs/dbraw/zinc/13/47/27/1067134727.db2.gz HDTHDUOUDLGPDB-BRWVUGGUSA-N 0 0 451.476 -1.960 20 0 JAADRN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144894669 1067134595 /nfs/dbraw/zinc/13/45/95/1067134595.db2.gz HDTHDUOUDLGPDB-GVDBMIGSSA-N 0 0 451.476 -1.960 20 0 JAADRN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144894670 1067135344 /nfs/dbraw/zinc/13/53/44/1067135344.db2.gz HDTHDUOUDLGPDB-IXDOHACOSA-N 0 0 451.476 -1.960 20 0 JAADRN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144894671 1067135391 /nfs/dbraw/zinc/13/53/91/1067135391.db2.gz HDTHDUOUDLGPDB-YESZJQIVSA-N 0 0 451.476 -1.960 20 0 JAADRN Cc1cccc(CN2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC[C@H]3C2=O)n1 ZINC001144894717 1067135225 /nfs/dbraw/zinc/13/52/25/1067135225.db2.gz HNOUOZGUPIISHT-DFBDCSAJSA-N 0 0 451.476 -2.390 20 0 JAADRN Cc1cccc(CN2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC[C@H]3C2=O)n1 ZINC001144894719 1067135325 /nfs/dbraw/zinc/13/53/25/1067135325.db2.gz HNOUOZGUPIISHT-DISONHOPSA-N 0 0 451.476 -2.390 20 0 JAADRN Cc1cccc(CN2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC[C@H]3C2=O)n1 ZINC001144894720 1067135398 /nfs/dbraw/zinc/13/53/98/1067135398.db2.gz HNOUOZGUPIISHT-RSJGLCBASA-N 0 0 451.476 -2.390 20 0 JAADRN Cc1cccc(CN2CCO[C@H]3CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@H]3C2=O)n1 ZINC001144894722 1067135250 /nfs/dbraw/zinc/13/52/50/1067135250.db2.gz HNOUOZGUPIISHT-UYTYNIKBSA-N 0 0 451.476 -2.390 20 0 JAADRN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144894731 1067135272 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O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NS(=O)(=O)c2cccc(Br)n2)c(=O)[nH]1 ZINC001196330824 1067234668 /nfs/dbraw/zinc/23/46/68/1067234668.db2.gz FPPDSZOZQYREPJ-PIZZUKIDSA-N 0 0 463.266 -1.296 20 0 JAADRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cccc(=O)n2OCc2ccccc2)c(=O)n1 ZINC001196464227 1067234586 /nfs/dbraw/zinc/23/45/86/1067234586.db2.gz BQNSEHJBNDSFII-OBZYLPMUSA-N 0 0 469.454 -1.092 20 0 JAADRN COC(=O)CCCCS(=O)(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001196986291 1067235469 /nfs/dbraw/zinc/23/54/69/1067235469.db2.gz CJDIXWBXSOPIOG-BBRMVZONSA-N 0 0 486.547 -1.328 20 0 JAADRN COC(=O)CCCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001196988316 1067235503 /nfs/dbraw/zinc/23/55/03/1067235503.db2.gz ULPDBVFNBSJGME-PVUWLOKVSA-N 0 0 459.521 -1.083 20 0 JAADRN COC(=O)c1cccc(C)c1S(=O)(=O)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001197058320 1067236013 /nfs/dbraw/zinc/23/60/13/1067236013.db2.gz RHQZUBHPOWNGRE-XKVFNRALSA-N 0 0 455.445 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478.476 -1.293 20 0 JAADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)ccc1O ZINC001197265004 1067236513 /nfs/dbraw/zinc/23/65/13/1067236513.db2.gz ALBRTKSBWHEGMS-NMFUWQPSSA-N 0 0 457.417 -1.961 20 0 JAADRN C[C@H](NS(=O)(=O)Cc1cccnc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001197494234 1067236528 /nfs/dbraw/zinc/23/65/28/1067236528.db2.gz DYOKXUDRWPTFHC-GUYCJALGSA-N 0 0 463.516 -1.076 20 0 JAADRN C[N@@H+]1CCCN(Cc2cccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2)CC1 ZINC001197521314 1067236489 /nfs/dbraw/zinc/23/64/89/1067236489.db2.gz STCPQASCVLNLLF-HGJKNBTDSA-N 0 0 489.547 -1.819 20 0 JAADRN C[N@@H+]1CCCN(Cc2cccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2)CC1 ZINC001197521316 1067236869 /nfs/dbraw/zinc/23/68/69/1067236869.db2.gz STCPQASCVLNLLF-VBEQINLCSA-N 0 0 489.547 -1.819 20 0 JAADRN COCCn1cc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cnc1=O ZINC001197701793 1067236774 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/nfs/dbraw/zinc/23/72/21/1067237221.db2.gz FPHHCFLKEKWEHJ-GUYCJALGSA-N 0 0 463.516 -1.076 20 0 JAADRN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001197918713 1067237137 /nfs/dbraw/zinc/23/71/37/1067237137.db2.gz YYJWAUSBLDMJSJ-BNEJOLLZSA-N 0 0 484.487 -1.096 20 0 JAADRN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001197925308 1067237101 /nfs/dbraw/zinc/23/71/01/1067237101.db2.gz GLVCUKNHFVNLTB-AWEZNQCLSA-N 0 0 469.520 -1.086 20 0 JAADRN CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1 ZINC001197946120 1067237260 /nfs/dbraw/zinc/23/72/60/1067237260.db2.gz LNULWBHHOSCSID-PDOZGGDVSA-N 0 0 453.492 -2.380 20 0 JAADRN CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1 ZINC001197946122 1067237275 /nfs/dbraw/zinc/23/72/75/1067237275.db2.gz LNULWBHHOSCSID-PLQGUWCTSA-N 0 0 453.492 -2.380 20 0 JAADRN C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001197952065 1067237242 /nfs/dbraw/zinc/23/72/42/1067237242.db2.gz ZTGQPVVXJLSKDQ-IDVLOGFNSA-N 0 0 481.546 -1.335 20 0 JAADRN CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001198042342 1067237319 /nfs/dbraw/zinc/23/73/19/1067237319.db2.gz WSYJECOQUBEVKK-HGJKNBTDSA-N 0 0 491.563 -1.573 20 0 JAADRN CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001198042350 1067237166 /nfs/dbraw/zinc/23/71/66/1067237166.db2.gz WSYJECOQUBEVKK-VBEQINLCSA-N 0 0 491.563 -1.573 20 0 JAADRN O=C(CN1CCN2[C@@H](CNS2(=O)=O)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001198059303 1067237086 /nfs/dbraw/zinc/23/70/86/1067237086.db2.gz GXVSJMBXBBKEKY-KRWDZBQOSA-N 0 0 457.578 -1.505 20 0 JAADRN O=C(CN1CCN2[C@H](CNS2(=O)=O)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001198059307 1067237155 /nfs/dbraw/zinc/23/71/55/1067237155.db2.gz GXVSJMBXBBKEKY-QGZVFWFLSA-N 0 0 457.578 -1.505 20 0 JAADRN O=C(CN1CCN2[C@@H](CNS2(=O)=O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001198062332 1067238000 /nfs/dbraw/zinc/23/80/00/1067238000.db2.gz TXESGAGDOUWKHR-HNNXBMFYSA-N 0 0 459.550 -1.520 20 0 JAADRN O=C(CN1CCN2[C@H](CNS2(=O)=O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001198062339 1067238115 /nfs/dbraw/zinc/23/81/15/1067238115.db2.gz TXESGAGDOUWKHR-OAHLLOKOSA-N 0 0 459.550 -1.520 20 0 JAADRN Cc1ncc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)n1C ZINC001198432318 1067237976 /nfs/dbraw/zinc/23/79/76/1067237976.db2.gz KMOHORJHNHAPEW-NHYWBVRUSA-N 0 0 466.520 -1.570 20 0 JAADRN COCNC(=S)Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001198803429 1067238465 /nfs/dbraw/zinc/23/84/65/1067238465.db2.gz VMSWCWAZHIUQIS-IOSLPCCCSA-N 0 0 496.287 -1.067 20 0 JAADRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cnc(OCC3CCOCC3)nc2)c(=O)n1 ZINC001198941564 1067239495 /nfs/dbraw/zinc/23/94/95/1067239495.db2.gz MRPTXHNFMUDWJN-GFOCRRMGSA-N 0 0 462.463 -1.287 20 0 JAADRN 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O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001254999862 1067381606 /nfs/dbraw/zinc/38/16/06/1067381606.db2.gz WLSWOFPOZZQSTN-WEFXPWQUSA-N 0 0 474.532 -1.365 20 0 JAADRN O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001254999863 1067381388 /nfs/dbraw/zinc/38/13/88/1067381388.db2.gz WLSWOFPOZZQSTN-YWKJMPSKSA-N 0 0 474.532 -1.365 20 0 JAADRN CCCS(=O)(=O)N1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC001255677634 1067382111 /nfs/dbraw/zinc/38/21/11/1067382111.db2.gz YBTRYKICRVDFDW-UHFFFAOYSA-N 0 0 457.557 -1.138 20 0 JAADRN COc1cccc(OC)c1CN1CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001255929636 1067382026 /nfs/dbraw/zinc/38/20/26/1067382026.db2.gz CGXGPPPMCGQWJF-LASHMREHSA-N 0 0 492.547 -1.115 20 0 JAADRN COc1cccc(OC)c1CN1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001255929651 1067382062 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COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)OC)CC1=O ZINC001301910802 1067406547 /nfs/dbraw/zinc/40/65/47/1067406547.db2.gz WZHCGYDPGGWBGN-HUUCEWRRSA-N 0 0 460.557 -1.059 20 0 JAADRN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)OC)CC1=O ZINC001301910803 1067406407 /nfs/dbraw/zinc/40/64/07/1067406407.db2.gz WZHCGYDPGGWBGN-LSDHHAIUSA-N 0 0 460.557 -1.059 20 0 JAADRN COCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)CC1=O ZINC001301910836 1067406458 /nfs/dbraw/zinc/40/64/58/1067406458.db2.gz XIRUJCTVTNXLGV-CABCVRRESA-N 0 0 478.547 -1.110 20 0 JAADRN COCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)CC1=O ZINC001301910842 1067406509 /nfs/dbraw/zinc/40/65/09/1067406509.db2.gz XIRUJCTVTNXLGV-GJZGRUSLSA-N 0 0 478.547 -1.110 20 0 JAADRN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](F)COC)CC1=O ZINC001301910844 1067406597 /nfs/dbraw/zinc/40/65/97/1067406597.db2.gz XIRUJCTVTNXLGV-HUUCEWRRSA-N 0 0 478.547 -1.110 20 0 JAADRN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](F)COC)CC1=O ZINC001301910846 1067406359 /nfs/dbraw/zinc/40/63/59/1067406359.db2.gz XIRUJCTVTNXLGV-LSDHHAIUSA-N 0 0 478.547 -1.110 20 0 JAADRN COCCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 ZINC001301911392 1067406566 /nfs/dbraw/zinc/40/65/66/1067406566.db2.gz YKKWEUWOZNGPKO-KRWDZBQOSA-N 0 0 473.600 -1.094 20 0 JAADRN COCCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 ZINC001301911394 1067406465 /nfs/dbraw/zinc/40/64/65/1067406465.db2.gz YKKWEUWOZNGPKO-QGZVFWFLSA-N 0 0 473.600 -1.094 20 0 JAADRN COCCNC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001301962283 1067406452 /nfs/dbraw/zinc/40/64/52/1067406452.db2.gz YZTQLRAVUJAPPY-FQEVSTJZSA-N 0 0 470.596 -1.020 20 0 JAADRN COCCNC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001301962284 1067406391 /nfs/dbraw/zinc/40/63/91/1067406391.db2.gz YZTQLRAVUJAPPY-HXUWFJFHSA-N 0 0 470.596 -1.020 20 0 JAADRN COc1ccc(S(=O)(=O)NCCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1OC ZINC001301962883 1067406446 /nfs/dbraw/zinc/40/64/46/1067406446.db2.gz VSAPRYOEKAMNQO-UHFFFAOYSA-N 0 0 450.539 -1.021 20 0 JAADRN COCCNC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC(C)C)CC1 ZINC001301964105 1067406514 /nfs/dbraw/zinc/40/65/14/1067406514.db2.gz ZSTMRPSTJVCHEG-INIZCTEOSA-N 0 0 485.611 -1.411 20 0 JAADRN COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC(C)C)CC1 ZINC001301964112 1067406551 /nfs/dbraw/zinc/40/65/51/1067406551.db2.gz ZSTMRPSTJVCHEG-MRXNPFEDSA-N 0 0 485.611 -1.411 20 0 JAADRN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001302072588 1067406503 /nfs/dbraw/zinc/40/65/03/1067406503.db2.gz VHZJJTXTXWDLJS-DLBZAZTESA-N 0 0 493.565 -1.212 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001302072595 1067406437 /nfs/dbraw/zinc/40/64/37/1067406437.db2.gz VHZJJTXTXWDLJS-IAGOWNOFSA-N 0 0 493.565 -1.212 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[C@@H]1COCCO1 ZINC001302088376 1067407136 /nfs/dbraw/zinc/40/71/36/1067407136.db2.gz CZMDRUHIDRGFIR-BZUAXINKSA-N 0 0 452.512 -1.045 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[C@H]1COCCO1 ZINC001302088377 1067407117 /nfs/dbraw/zinc/40/71/17/1067407117.db2.gz CZMDRUHIDRGFIR-OAGGEKHMSA-N 0 0 452.512 -1.045 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[C@@H]1COCCO1 ZINC001302088378 1067407193 /nfs/dbraw/zinc/40/71/93/1067407193.db2.gz CZMDRUHIDRGFIR-OWCLPIDISA-N 0 0 452.512 -1.045 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[C@H]1COCCO1 ZINC001302088379 1067407126 /nfs/dbraw/zinc/40/71/26/1067407126.db2.gz CZMDRUHIDRGFIR-PMPSAXMXSA-N 0 0 452.512 -1.045 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001302088426 1067407150 /nfs/dbraw/zinc/40/71/50/1067407150.db2.gz DISNWXAXNFCQBY-CVEARBPZSA-N 0 0 479.538 -1.602 20 0 JAADRN COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001302088427 1067407098 /nfs/dbraw/zinc/40/70/98/1067407098.db2.gz DISNWXAXNFCQBY-HOTGVXAUSA-N 0 0 479.538 -1.602 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001302088428 1067407159 /nfs/dbraw/zinc/40/71/59/1067407159.db2.gz DISNWXAXNFCQBY-HZPDHXFCSA-N 0 0 479.538 -1.602 20 0 JAADRN COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001302088429 1067407133 /nfs/dbraw/zinc/40/71/33/1067407133.db2.gz DISNWXAXNFCQBY-JKSUJKDBSA-N 0 0 479.538 -1.602 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCNC(=O)C(C)C ZINC001302088495 1067407069 /nfs/dbraw/zinc/40/70/69/1067407069.db2.gz FFDBIXSPYATCSS-CABCVRRESA-N 0 0 451.528 -1.079 20 0 JAADRN COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCNC(=O)C(C)C ZINC001302088526 1067407137 /nfs/dbraw/zinc/40/71/37/1067407137.db2.gz FFDBIXSPYATCSS-GJZGRUSLSA-N 0 0 451.528 -1.079 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCNC(=O)C(C)C ZINC001302088528 1067407186 /nfs/dbraw/zinc/40/71/86/1067407186.db2.gz FFDBIXSPYATCSS-HUUCEWRRSA-N 0 0 451.528 -1.079 20 0 JAADRN COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCNC(=O)C(C)C ZINC001302088530 1067407128 /nfs/dbraw/zinc/40/71/28/1067407128.db2.gz FFDBIXSPYATCSS-LSDHHAIUSA-N 0 0 451.528 -1.079 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001302091060 1067407154 /nfs/dbraw/zinc/40/71/54/1067407154.db2.gz IVCLKVLCZKHULP-GLJUWKHASA-N 0 0 458.541 -1.235 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001302091061 1067407088 /nfs/dbraw/zinc/40/70/88/1067407088.db2.gz IVCLKVLCZKHULP-HBUWYVDXSA-N 0 0 458.541 -1.235 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001302091062 1067407124 /nfs/dbraw/zinc/40/71/24/1067407124.db2.gz IVCLKVLCZKHULP-LBTNJELSSA-N 0 0 458.541 -1.235 20 0 JAADRN COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001302091063 1067407189 /nfs/dbraw/zinc/40/71/89/1067407189.db2.gz IVCLKVLCZKHULP-QWQRMKEZSA-N 0 0 458.541 -1.235 20 0 JAADRN CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001302176676 1067407157 /nfs/dbraw/zinc/40/71/57/1067407157.db2.gz PLSZYRUFVFUVSQ-AWEZNQCLSA-N 0 0 468.580 -1.047 20 0 JAADRN CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001302176696 1067407142 /nfs/dbraw/zinc/40/71/42/1067407142.db2.gz PLSZYRUFVFUVSQ-CQSZACIVSA-N 0 0 468.580 -1.047 20 0 JAADRN CC(C)(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001302210738 1067407180 /nfs/dbraw/zinc/40/71/80/1067407180.db2.gz PWPKUGMHVCZDGX-CYBMUJFWSA-N 0 0 457.557 -1.148 20 0 JAADRN CC(C)(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001302210742 1067407162 /nfs/dbraw/zinc/40/71/62/1067407162.db2.gz PWPKUGMHVCZDGX-ZDUSSCGKSA-N 0 0 457.557 -1.148 20 0 JAADRN COCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001302213435 1067407673 /nfs/dbraw/zinc/40/76/73/1067407673.db2.gz DSOODEQAHGSUBX-KRWDZBQOSA-N 0 0 493.565 -1.210 20 0 JAADRN COCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001302213438 1067407701 /nfs/dbraw/zinc/40/77/01/1067407701.db2.gz DSOODEQAHGSUBX-QGZVFWFLSA-N 0 0 493.565 -1.210 20 0 JAADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001302231728 1067407776 /nfs/dbraw/zinc/40/77/76/1067407776.db2.gz BVTJADAIZJBVFS-JYJNAYRXSA-N 0 0 472.568 -1.011 20 0 JAADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001302231731 1067407756 /nfs/dbraw/zinc/40/77/56/1067407756.db2.gz BVTJADAIZJBVFS-OAGGEKHMSA-N 0 0 472.568 -1.011 20 0 JAADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001302231734 1067407627 /nfs/dbraw/zinc/40/76/27/1067407627.db2.gz BVTJADAIZJBVFS-PMPSAXMXSA-N 0 0 472.568 -1.011 20 0 JAADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001302231738 1067407731 /nfs/dbraw/zinc/40/77/31/1067407731.db2.gz BVTJADAIZJBVFS-XHSDSOJGSA-N 0 0 472.568 -1.011 20 0 JAADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001302233440 1067407605 /nfs/dbraw/zinc/40/76/05/1067407605.db2.gz LSEYYGJIJDIUPB-CABCVRRESA-N 0 0 473.556 -1.512 20 0 JAADRN COCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001302233446 1067407730 /nfs/dbraw/zinc/40/77/30/1067407730.db2.gz LSEYYGJIJDIUPB-GJZGRUSLSA-N 0 0 473.556 -1.512 20 0 JAADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001302233448 1067407772 /nfs/dbraw/zinc/40/77/72/1067407772.db2.gz LSEYYGJIJDIUPB-HUUCEWRRSA-N 0 0 473.556 -1.512 20 0 JAADRN COCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001302233450 1067407651 /nfs/dbraw/zinc/40/76/51/1067407651.db2.gz LSEYYGJIJDIUPB-LSDHHAIUSA-N 0 0 473.556 -1.512 20 0 JAADRN 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CC[S@@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001552443367 1067512607 /nfs/dbraw/zinc/51/26/07/1067512607.db2.gz NLCSVGXCAAOPEM-JGTBNHKDSA-N 0 0 471.627 -1.140 20 0 JAADRN CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001552443368 1067512663 /nfs/dbraw/zinc/51/26/63/1067512663.db2.gz NLCSVGXCAAOPEM-PFUSGODGSA-N 0 0 471.627 -1.140 20 0 JAADRN CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001552443369 1067512528 /nfs/dbraw/zinc/51/25/28/1067512528.db2.gz NLCSVGXCAAOPEM-QWVSSGJLSA-N 0 0 471.627 -1.140 20 0 JAADRN CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001552444471 1067512595 /nfs/dbraw/zinc/51/25/95/1067512595.db2.gz XYNZWYLIDIBHOZ-ILHIWHGASA-N 0 0 477.613 -1.159 20 0 JAADRN CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001552444472 1067512541 /nfs/dbraw/zinc/51/25/41/1067512541.db2.gz XYNZWYLIDIBHOZ-KJEZJMDVSA-N 0 0 477.613 -1.159 20 0 JAADRN 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/nfs/dbraw/zinc/53/13/92/1067531392.db2.gz XLTLTCSRZVXRMD-QWHCGFSZSA-N 0 0 452.559 -1.615 20 0 JAADRN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)CCO1 ZINC001612951920 1067531527 /nfs/dbraw/zinc/53/15/27/1067531527.db2.gz XLTLTCSRZVXRMD-STQMWFEESA-N 0 0 452.559 -1.615 20 0 JAADRN C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNS(C)(=O)=O ZINC001613007180 1067531559 /nfs/dbraw/zinc/53/15/59/1067531559.db2.gz XCFCANGFJGLKGV-CHWSQXEVSA-N 0 0 452.559 -1.615 20 0 JAADRN C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNS(C)(=O)=O ZINC001613007181 1067531495 /nfs/dbraw/zinc/53/14/95/1067531495.db2.gz XCFCANGFJGLKGV-OLZOCXBDSA-N 0 0 452.559 -1.615 20 0 JAADRN C[C@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNS(C)(=O)=O ZINC001613007182 1067531381 /nfs/dbraw/zinc/53/13/81/1067531381.db2.gz XCFCANGFJGLKGV-QWHCGFSZSA-N 0 0 452.559 -1.615 20 0 JAADRN C[C@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNS(C)(=O)=O ZINC001613007183 1067531506 /nfs/dbraw/zinc/53/15/06/1067531506.db2.gz XCFCANGFJGLKGV-STQMWFEESA-N 0 0 452.559 -1.615 20 0 JAADRN C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001613012748 1067531440 /nfs/dbraw/zinc/53/14/40/1067531440.db2.gz ORTKJJVSYMSMPI-BBWFWOEESA-N 0 0 485.611 -1.001 20 0 JAADRN C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001613012749 1067531578 /nfs/dbraw/zinc/53/15/78/1067531578.db2.gz ORTKJJVSYMSMPI-BRWVUGGUSA-N 0 0 485.611 -1.001 20 0 JAADRN C[C@@H]1COCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001613012750 1067531611 /nfs/dbraw/zinc/53/16/11/1067531611.db2.gz ORTKJJVSYMSMPI-GVDBMIGSSA-N 0 0 485.611 -1.001 20 0 JAADRN C[C@@H]1COCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001613012751 1067531402 /nfs/dbraw/zinc/53/14/02/1067531402.db2.gz ORTKJJVSYMSMPI-ZACQAIPSSA-N 0 0 485.611 -1.001 20 0 JAADRN CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613086342 1067531570 /nfs/dbraw/zinc/53/15/70/1067531570.db2.gz JNYDDWUSVKVCFN-JXFKEZNVSA-N 0 0 487.627 -1.018 20 0 JAADRN CC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613086344 1067531472 /nfs/dbraw/zinc/53/14/72/1067531472.db2.gz JNYDDWUSVKVCFN-OXJNMPFZSA-N 0 0 487.627 -1.018 20 0 JAADRN CC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613086345 1067531603 /nfs/dbraw/zinc/53/16/03/1067531603.db2.gz JNYDDWUSVKVCFN-OXQOHEQNSA-N 0 0 487.627 -1.018 20 0 JAADRN CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613086346 1067531536 /nfs/dbraw/zinc/53/15/36/1067531536.db2.gz JNYDDWUSVKVCFN-UZLBHIALSA-N 0 0 487.627 -1.018 20 0 JAADRN CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001613087366 1067531348 /nfs/dbraw/zinc/53/13/48/1067531348.db2.gz ZYNFAGXFEUWSDV-BTYIYWSLSA-N 0 0 463.539 -1.102 20 0 JAADRN CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001613087371 1067531484 /nfs/dbraw/zinc/53/14/84/1067531484.db2.gz ZYNFAGXFEUWSDV-QVKFZJNVSA-N 0 0 463.539 -1.102 20 0 JAADRN CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001613087374 1067531550 /nfs/dbraw/zinc/53/15/50/1067531550.db2.gz ZYNFAGXFEUWSDV-VFNWGFHPSA-N 0 0 463.539 -1.102 20 0 JAADRN CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001613087376 1067531429 /nfs/dbraw/zinc/53/14/29/1067531429.db2.gz ZYNFAGXFEUWSDV-YCRPNKLZSA-N 0 0 463.539 -1.102 20 0 JAADRN CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001613300075 1067532005 /nfs/dbraw/zinc/53/20/05/1067532005.db2.gz KXZPLSCVDVDCJL-HNNXBMFYSA-N 0 0 471.584 -1.152 20 0 JAADRN CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001613300076 1067531961 /nfs/dbraw/zinc/53/19/61/1067531961.db2.gz KXZPLSCVDVDCJL-OAHLLOKOSA-N 0 0 471.584 -1.152 20 0 JAADRN CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCS(=O)(=O)NC ZINC001613300912 1067531999 /nfs/dbraw/zinc/53/19/99/1067531999.db2.gz ZLWSGGHQUNJGRG-HNNXBMFYSA-N 0 0 471.584 -1.152 20 0 JAADRN CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCS(=O)(=O)NC ZINC001613300913 1067531943 /nfs/dbraw/zinc/53/19/43/1067531943.db2.gz ZLWSGGHQUNJGRG-OAHLLOKOSA-N 0 0 471.584 -1.152 20 0 JAADRN CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001614015230 1067532016 /nfs/dbraw/zinc/53/20/16/1067532016.db2.gz AVCBGOKXXHYXMZ-UHFFFAOYSA-N 0 0 463.539 -1.403 20 0 JAADRN CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001614015399 1067531855 /nfs/dbraw/zinc/53/18/55/1067531855.db2.gz JOCGGTGPQBOXBH-MRXNPFEDSA-N 0 0 483.595 -1.228 20 0 JAADRN CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001614015538 1067531969 /nfs/dbraw/zinc/53/19/69/1067531969.db2.gz PPPLVQZMBJYFAB-UHFFFAOYSA-N 0 0 456.507 -1.110 20 0 JAADRN CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001614018016 1067531875 /nfs/dbraw/zinc/53/18/75/1067531875.db2.gz ANFXMNNJEICNJW-UHFFFAOYSA-N 0 0 470.596 -1.239 20 0 JAADRN CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 ZINC001614067344 1067531975 /nfs/dbraw/zinc/53/19/75/1067531975.db2.gz LXWZJNFPRLGCEY-KBPBESRZSA-N 0 0 457.557 -1.148 20 0 JAADRN CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 ZINC001614067345 1067531914 /nfs/dbraw/zinc/53/19/14/1067531914.db2.gz LXWZJNFPRLGCEY-KGLIPLIRSA-N 0 0 457.557 -1.148 20 0 JAADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 ZINC001614067346 1067531953 /nfs/dbraw/zinc/53/19/53/1067531953.db2.gz LXWZJNFPRLGCEY-UONOGXRCSA-N 0 0 457.557 -1.148 20 0 JAADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 ZINC001614067347 1067532021 /nfs/dbraw/zinc/53/20/21/1067532021.db2.gz LXWZJNFPRLGCEY-ZIAGYGMSSA-N 0 0 457.557 -1.148 20 0 JAADRN CN(CCCNC(=O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C)S(C)(=O)=O ZINC001614848220 1067531988 /nfs/dbraw/zinc/53/19/88/1067531988.db2.gz GSEPWZYQPNNSSE-UHFFFAOYSA-N 0 0 451.303 -1.004 20 0 JAADRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001614983786 1067531934 /nfs/dbraw/zinc/53/19/34/1067531934.db2.gz JUJGUOLKIONWPI-KBPBESRZSA-N 0 0 457.557 -1.196 20 0 JAADRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001614983792 1067531927 /nfs/dbraw/zinc/53/19/27/1067531927.db2.gz JUJGUOLKIONWPI-KGLIPLIRSA-N 0 0 457.557 -1.196 20 0 JAADRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001614983794 1067532009 /nfs/dbraw/zinc/53/20/09/1067532009.db2.gz JUJGUOLKIONWPI-UONOGXRCSA-N 0 0 457.557 -1.196 20 0 JAADRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001614983795 1067532194 /nfs/dbraw/zinc/53/21/94/1067532194.db2.gz JUJGUOLKIONWPI-ZIAGYGMSSA-N 0 0 457.557 -1.196 20 0 JAADRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001614984268 1067532318 /nfs/dbraw/zinc/53/23/18/1067532318.db2.gz RICYDTGOTQLHGM-CVEARBPZSA-N 0 0 471.584 -1.342 20 0 JAADRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001614984269 1067532166 /nfs/dbraw/zinc/53/21/66/1067532166.db2.gz RICYDTGOTQLHGM-HOTGVXAUSA-N 0 0 471.584 -1.342 20 0 JAADRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001614984270 1067532145 /nfs/dbraw/zinc/53/21/45/1067532145.db2.gz RICYDTGOTQLHGM-HZPDHXFCSA-N 0 0 471.584 -1.342 20 0 JAADRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001614984271 1067532364 /nfs/dbraw/zinc/53/23/64/1067532364.db2.gz RICYDTGOTQLHGM-JKSUJKDBSA-N 0 0 471.584 -1.342 20 0 JAADRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001614984979 1067532243 /nfs/dbraw/zinc/53/22/43/1067532243.db2.gz ZTKNZECPNCNTIH-HNNXBMFYSA-N 0 0 487.583 -1.568 20 0 JAADRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001614984980 1067532133 /nfs/dbraw/zinc/53/21/33/1067532133.db2.gz ZTKNZECPNCNTIH-OAHLLOKOSA-N 0 0 487.583 -1.568 20 0 JAADRN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001615091223 1067532286 /nfs/dbraw/zinc/53/22/86/1067532286.db2.gz YHWPLXDKEAMHJV-QWHCGFSZSA-N 0 0 465.602 -1.163 20 0 JAADRN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001615091224 1067532354 /nfs/dbraw/zinc/53/23/54/1067532354.db2.gz YHWPLXDKEAMHJV-STQMWFEESA-N 0 0 465.602 -1.163 20 0 JAADRN CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001615099732 1067532216 /nfs/dbraw/zinc/53/22/16/1067532216.db2.gz AKDITLMJBBUAHK-HNNXBMFYSA-N 0 0 476.538 -1.785 20 0 JAADRN CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001615099737 1067532273 /nfs/dbraw/zinc/53/22/73/1067532273.db2.gz AKDITLMJBBUAHK-OAHLLOKOSA-N 0 0 476.538 -1.785 20 0 JAADRN CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001615100306 1067532306 /nfs/dbraw/zinc/53/23/06/1067532306.db2.gz CJBHMVPDDFWZBW-CABCVRRESA-N 0 0 469.568 -1.100 20 0 JAADRN 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