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CCC(C(=O)C1CCC1)=C(O)C1CC1 322904037 538326491 /nfs/dbraw/zinc/32/64/91/538326491.db2.gz GSOLCYYUFVRIOH-JTQLQIEISA-N 0 1 194.274 2.361 10 0 AEAEMN CC[C@@H](C(=O)C1CCC1)C(=O)C1CC1 322904037 538326492 /nfs/dbraw/zinc/32/64/92/538326492.db2.gz GSOLCYYUFVRIOH-JTQLQIEISA-N 0 1 194.274 2.361 10 0 AEAEMN C[C@H]1C[C@H]1C(=O)C=C(O)C(C)(C)C 321238096 538326515 /nfs/dbraw/zinc/32/65/15/538326515.db2.gz ILQQVZSIPNRJIB-JGVFFNPUSA-N 0 1 182.263 2.217 10 0 AEAEMN C[C@@H]1C[C@H]1C(=O)C=C(O)C(C)(C)C 321238095 538326632 /nfs/dbraw/zinc/32/66/32/538326632.db2.gz ILQQVZSIPNRJIB-HTQZYQBOSA-N 0 1 182.263 2.217 10 0 AEAEMN CCCC(=O)C(C)=C(O)[C@H]1C[C@H]1C 322356187 538326700 /nfs/dbraw/zinc/32/67/00/538326700.db2.gz VOQNKRBQHVBFMJ-VGMNWLOBSA-N 0 1 182.263 2.217 10 0 AEAEMN CC(C(=O)C(C)C)=C(O)[C@@H]1C[C@@H]1C 322371600 538326793 /nfs/dbraw/zinc/32/67/93/538326793.db2.gz ZQYPIJCXAZQHBV-XHNCKOQMSA-N 0 1 182.263 2.073 10 0 AEAEMN CC(C(=O)C(C)C)=C(O)[C@H]1C[C@H]1C 322371599 538326903 /nfs/dbraw/zinc/32/69/03/538326903.db2.gz ZQYPIJCXAZQHBV-VGMNWLOBSA-N 0 1 182.263 2.073 10 0 AEAEMN CC(C(=O)[C@@H]1C[C@@H]1C)=C(O)C(C)(C)C 322368275 538326994 /nfs/dbraw/zinc/32/69/94/538326994.db2.gz YPSPTANQPGTLNY-DJLDLDEBSA-N 0 1 196.290 2.463 10 0 AEAEMN CCC(=O)C(CC)=C(O)C1CCC1 323836492 538327134 /nfs/dbraw/zinc/32/71/34/538327134.db2.gz MTPREILVNHGVDQ-VIFPVBQESA-N 0 1 182.263 2.361 10 0 AEAEMN CCC(=O)C(CC)=C(O)C1CCC1 323836489 538327336 /nfs/dbraw/zinc/32/73/36/538327336.db2.gz MTPREILVNHGVDQ-SECBINFHSA-N 0 1 182.263 2.361 10 0 AEAEMN CCCC(=O)C(C)=C(O)C1CCC1 323916787 538327398 /nfs/dbraw/zinc/32/73/98/538327398.db2.gz ZFBOXECYIKKNEA-QMMMGPOBSA-N 0 1 182.263 2.361 10 0 AEAEMN CC(C(=O)C(C)C)=C(O)[C@@H]1C[C@H]1C 322371598 538327416 /nfs/dbraw/zinc/32/74/16/538327416.db2.gz ZQYPIJCXAZQHBV-HRDYMLBCSA-N 0 1 182.263 2.073 10 0 AEAEMN C[C@H]1C[C@@H]1C(=O)C=C(O)C(C)(C)C 321239186 538327434 /nfs/dbraw/zinc/32/74/34/538327434.db2.gz ILQQVZSIPNRJIB-YUMQZZPRSA-N 0 1 182.263 2.217 10 0 AEAEMN CCCC(=O)C(C)=C(O)[C@H]1C[C@@H]1C 322356185 538327519 /nfs/dbraw/zinc/32/75/19/538327519.db2.gz VOQNKRBQHVBFMJ-CIUDSAMLSA-N 0 1 182.263 2.217 10 0 AEAEMN CC(C(=O)[C@@H]1C[C@H]1C)=C(O)C(C)(C)C 322368277 538327579 /nfs/dbraw/zinc/32/75/79/538327579.db2.gz YPSPTANQPGTLNY-IWSPIJDZSA-N 0 1 196.290 2.463 10 0 AEAEMN C[C@H](C(=O)[C@@H]1C[C@H]1C)C(=O)C(C)(C)C 322368277 538327582 /nfs/dbraw/zinc/32/75/82/538327582.db2.gz YPSPTANQPGTLNY-IWSPIJDZSA-N 0 1 196.290 2.463 10 0 AEAEMN FC(F)[C@H]1C[C@@H]1NCc1ccco1 378794047 538335505 /nfs/dbraw/zinc/33/55/05/538335505.db2.gz PHGPWYMRYZXUMR-YUMQZZPRSA-N 0 1 187.189 2.023 10 0 AEAEMN C[C@@H]1C[C@@H]1CNC(C)(C)C(F)F 379323342 538343578 /nfs/dbraw/zinc/34/35/78/538343578.db2.gz PKPYGMARABHCIH-RNFRBKRXSA-N 0 1 177.238 2.276 10 0 AEAEMN C[C@H]1C[C@@H]1CNC(C)(C)C(F)F 379323341 538344242 /nfs/dbraw/zinc/34/42/42/538344242.db2.gz PKPYGMARABHCIH-NKWVEPMBSA-N 0 1 177.238 2.276 10 0 AEAEMN C[C@@H]1C[C@H]1CNC(C)(C)C(F)F 379323343 538345428 /nfs/dbraw/zinc/34/54/28/538345428.db2.gz PKPYGMARABHCIH-RQJHMYQMSA-N 0 1 177.238 2.276 10 0 AEAEMN C[C@H]1C[C@H]1CNC(C)(C)C(F)F 379323340 538345788 /nfs/dbraw/zinc/34/57/88/538345788.db2.gz PKPYGMARABHCIH-BQBZGAKWSA-N 0 1 177.238 2.276 10 0 AEAEMN FC1(CNCc2ccsc2)CC1 379332184 538352379 /nfs/dbraw/zinc/35/23/79/538352379.db2.gz GLYDCWQCKDOFOA-UHFFFAOYSA-N 0 1 185.267 2.340 10 0 AEAEMN CCC(C)(C)N(C)Cc1cocn1 379357179 538359731 /nfs/dbraw/zinc/35/97/31/538359731.db2.gz QQELILQLYKGBMB-UHFFFAOYSA-N 0 1 182.267 2.295 10 0 AEAEMN Cc1occc1CNCC1(F)CC1 379358967 538363844 /nfs/dbraw/zinc/36/38/44/538363844.db2.gz XBDAEADZOPOZCC-UHFFFAOYSA-N 0 1 183.226 2.180 10 0 AEAEMN CC(C)=CCCNCc1cocn1 379389029 538384164 /nfs/dbraw/zinc/38/41/64/538384164.db2.gz KSLCGEGWPGCFCL-UHFFFAOYSA-N 0 1 180.251 2.121 10 0 AEAEMN CC(C)[C@@H](C)N(C)Cc1cocn1 379398874 538390358 /nfs/dbraw/zinc/39/03/58/538390358.db2.gz FXIVHULBAPIAMC-SECBINFHSA-N 0 1 182.267 2.151 10 0 AEAEMN CC(C)[C@H](C)N(C)Cc1cocn1 379398875 538390725 /nfs/dbraw/zinc/39/07/25/538390725.db2.gz FXIVHULBAPIAMC-VIFPVBQESA-N 0 1 182.267 2.151 10 0 AEAEMN CCCC(C)(C)NCc1cocn1 379412442 538407156 /nfs/dbraw/zinc/40/71/56/538407156.db2.gz KFLMZIFTUZJQFU-UHFFFAOYSA-N 0 1 182.267 2.343 10 0 AEAEMN CC1(CNCc2cocn2)CCCC1 379577499 538416275 /nfs/dbraw/zinc/41/62/75/538416275.db2.gz QYKFTZACHCNYLO-UHFFFAOYSA-N 0 1 194.278 2.345 10 0 AEAEMN c1nc(CNCCC2CCCC2)co1 379581214 538419192 /nfs/dbraw/zinc/41/91/92/538419192.db2.gz KGYFLEDSXBVQNN-UHFFFAOYSA-N 0 1 194.278 2.345 10 0 AEAEMN Fc1ccccc1CNCC1(F)CC1 379623910 538425113 /nfs/dbraw/zinc/42/51/13/538425113.db2.gz IIFRIEWDHFNLEN-UHFFFAOYSA-N 0 1 197.228 2.417 10 0 AEAEMN CC1(C)CC(CNCc2cocn2)C1 379647898 538426124 /nfs/dbraw/zinc/42/61/24/538426124.db2.gz BEVKRHCWNWGLCS-UHFFFAOYSA-N 0 1 194.278 2.200 10 0 AEAEMN C[C@H](NC(C)(C)C(F)F)C1CC1 388497622 538433110 /nfs/dbraw/zinc/43/31/10/538433110.db2.gz KVDLXUMVZPLNCX-LURJTMIESA-N 0 1 177.238 2.418 10 0 AEAEMN C[C@@H](NC(C)(C)C(F)F)C1CC1 388497626 538433393 /nfs/dbraw/zinc/43/33/93/538433393.db2.gz KVDLXUMVZPLNCX-ZCFIWIBFSA-N 0 1 177.238 2.418 10 0 AEAEMN CCC[C@@H](C)CNCc1cocn1 388636945 538435459 /nfs/dbraw/zinc/43/54/59/538435459.db2.gz NAOMHPWFASTUTH-SECBINFHSA-N 0 1 182.267 2.200 10 0 AEAEMN CCC[C@H](C)CNCc1cocn1 388636948 538435704 /nfs/dbraw/zinc/43/57/04/538435704.db2.gz NAOMHPWFASTUTH-VIFPVBQESA-N 0 1 182.267 2.200 10 0 AEAEMN CCCN(CCC)Cc1cocn1 388754701 538437513 /nfs/dbraw/zinc/43/75/13/538437513.db2.gz CPBNMDVSCMZTIS-UHFFFAOYSA-N 0 1 182.267 2.297 10 0 AEAEMN CCC[C@@H](NCCF)c1ccccn1 388974082 538438720 /nfs/dbraw/zinc/43/87/20/538438720.db2.gz LJKFXERPEDJYCM-SNVBAGLBSA-N 0 1 196.269 2.482 10 0 AEAEMN CCC[C@H](NCCF)c1ccccn1 388974081 538438764 /nfs/dbraw/zinc/43/87/64/538438764.db2.gz LJKFXERPEDJYCM-JTQLQIEISA-N 0 1 196.269 2.482 10 0 AEAEMN Cc1cc(CNCC2(C)CCC2)no1 389254827 538439605 /nfs/dbraw/zinc/43/96/05/538439605.db2.gz FSPBFFMOECAYKD-UHFFFAOYSA-N 0 1 194.278 2.263 10 0 AEAEMN CCCCc1sc(CN)nc1C 669379521 538444877 /nfs/dbraw/zinc/44/48/77/538444877.db2.gz DSLDLWLHXRJJPQ-UHFFFAOYSA-N 0 1 184.308 2.253 10 0 AEAEMN CCNCc1nc(C(C)(C)C)co1 669381820 538445644 /nfs/dbraw/zinc/44/56/44/538445644.db2.gz WVIBGLWYKBIGQD-UHFFFAOYSA-N 0 1 182.267 2.082 10 0 AEAEMN CC(C)NCc1nc(C(C)(C)C)co1 669381781 538445774 /nfs/dbraw/zinc/44/57/74/538445774.db2.gz VGTAIHCEOIZXDX-UHFFFAOYSA-N 0 1 196.294 2.470 10 0 AEAEMN CC[C@H](C)c1coc2c1CNC2 675051174 538447401 /nfs/dbraw/zinc/44/74/01/538447401.db2.gz CCIXJZIERXEMOO-ZETCQYMHSA-N 0 1 165.236 2.396 10 0 AEAEMN CC(C)(C)Cc1coc2c1CNC2 675051358 538447469 /nfs/dbraw/zinc/44/74/69/538447469.db2.gz HRBFJLCTRATTJO-UHFFFAOYSA-N 0 1 179.263 2.471 10 0 AEAEMN c1oc2c(c1C1CCC1)CNC2 675051444 538447514 /nfs/dbraw/zinc/44/75/14/538447514.db2.gz LHMQMCIGMWMDAL-UHFFFAOYSA-N 0 1 163.220 2.150 10 0 AEAEMN CC[C@@H](C)c1coc2c1CNC2 675051173 538447727 /nfs/dbraw/zinc/44/77/27/538447727.db2.gz CCIXJZIERXEMOO-SSDOTTSWSA-N 0 1 165.236 2.396 10 0 AEAEMN CC(C)c1coc2c1CNC2 675051537 538447840 /nfs/dbraw/zinc/44/78/40/538447840.db2.gz NFQPDBNBPJHSLA-UHFFFAOYSA-N 0 1 151.209 2.006 10 0 AEAEMN CC(C)(C)c1coc2c1CNC2 675051972 538448110 /nfs/dbraw/zinc/44/81/10/538448110.db2.gz ZLFDVYHVKPNXCP-UHFFFAOYSA-N 0 1 165.236 2.180 10 0 AEAEMN Cc1[nH]n(C)c(=O)c1-c1ccsc1 675054645 538448806 /nfs/dbraw/zinc/44/88/06/538448806.db2.gz SHEAOAQKVJXEJY-UHFFFAOYSA-N 0 1 194.259 2.163 10 0 AEAEMN CC[C@H]1CCc2cc(N)ncc2C1 675063940 538450267 /nfs/dbraw/zinc/45/02/67/538450267.db2.gz UOLVUSZWSXEHPV-QMMMGPOBSA-N 0 1 176.263 2.179 10 0 AEAEMN C[C@@H]1Cc2cnc(N)cc2[C@H](C)C1 675063397 538450223 /nfs/dbraw/zinc/45/02/23/538450223.db2.gz FEKCSPXZZAVNBT-JGVFFNPUSA-N 0 1 176.263 2.350 10 0 AEAEMN CC[C@@H]1CCc2cc(N)ncc2C1 675063939 538450247 /nfs/dbraw/zinc/45/02/47/538450247.db2.gz UOLVUSZWSXEHPV-MRVPVSSYSA-N 0 1 176.263 2.179 10 0 AEAEMN CC(C)[C@@H]1CCc2cc(N)ncc2C1 675063678 538450404 /nfs/dbraw/zinc/45/04/04/538450404.db2.gz KIWSEJBVVLVRMX-SECBINFHSA-N 0 1 190.290 2.425 10 0 AEAEMN C[C@@H]1Cc2cnc(N)cc2[C@@H](C)C1 675063399 538450538 /nfs/dbraw/zinc/45/05/38/538450538.db2.gz FEKCSPXZZAVNBT-YUMQZZPRSA-N 0 1 176.263 2.350 10 0 AEAEMN CC1(C)CCCc2cnc(N)cc21 675064233 538450494 /nfs/dbraw/zinc/45/04/94/538450494.db2.gz XWVDPLDGGGNDFI-UHFFFAOYSA-N 0 1 176.263 2.278 10 0 AEAEMN C[C@@H]1Cc2cc(N)ncc2[C@@H](C)C1 675063477 538450534 /nfs/dbraw/zinc/45/05/34/538450534.db2.gz FVRPHJYQSGWWBS-YUMQZZPRSA-N 0 1 176.263 2.350 10 0 AEAEMN C[C@H]1Cc2cc(N)ncc2[C@H](C)C1 675063472 538450583 /nfs/dbraw/zinc/45/05/83/538450583.db2.gz FVRPHJYQSGWWBS-HTQZYQBOSA-N 0 1 176.263 2.350 10 0 AEAEMN C[C@@H]1Cc2cc(N)ncc2[C@H](C)C1 675063473 538450665 /nfs/dbraw/zinc/45/06/65/538450665.db2.gz FVRPHJYQSGWWBS-JGVFFNPUSA-N 0 1 176.263 2.350 10 0 AEAEMN C[C@H]1Cc2cnc(N)cc2[C@H](C)C1 675063396 538450705 /nfs/dbraw/zinc/45/07/05/538450705.db2.gz FEKCSPXZZAVNBT-HTQZYQBOSA-N 0 1 176.263 2.350 10 0 AEAEMN C[C@H]1C[C@@H](C)Cc2cc(N)ncc21 675063476 538450726 /nfs/dbraw/zinc/45/07/26/538450726.db2.gz FVRPHJYQSGWWBS-SFYZADRCSA-N 0 1 176.263 2.350 10 0 AEAEMN CC1(C)CCc2cc(N)ncc2C1 675063325 538450771 /nfs/dbraw/zinc/45/07/71/538450771.db2.gz CGGAGQDIOSTNLB-UHFFFAOYSA-N 0 1 176.263 2.179 10 0 AEAEMN CC(C)[C@H]1CCc2cc(N)ncc2C1 675063679 538450777 /nfs/dbraw/zinc/45/07/77/538450777.db2.gz KIWSEJBVVLVRMX-VIFPVBQESA-N 0 1 190.290 2.425 10 0 AEAEMN C[C@H]1C[C@@H](C)Cc2cnc(N)cc21 675063398 538450783 /nfs/dbraw/zinc/45/07/83/538450783.db2.gz FEKCSPXZZAVNBT-SFYZADRCSA-N 0 1 176.263 2.350 10 0 AEAEMN CCCCCSc1cn[nH]n1 144648421 541307108 /nfs/dbraw/zinc/30/71/08/541307108.db2.gz AJMJOBDSSRXCDX-UHFFFAOYSA-N 0 1 171.269 2.087 10 0 AEAEMN CCC[C@@H]1C[C@H]1NCc1nccs1 231674668 541321338 /nfs/dbraw/zinc/32/13/38/541321338.db2.gz FHKSMRDQDLULCN-RKDXNWHRSA-N 0 1 196.319 2.421 10 0 AEAEMN CC(C)C[N@H+]1Cc2cccnc2C1 231608853 541321591 /nfs/dbraw/zinc/32/15/91/541321591.db2.gz BIUGXXGGTKPVSG-UHFFFAOYSA-N 0 1 176.263 2.053 10 0 AEAEMN CC(C)CN1Cc2cccnc2C1 231608853 541321596 /nfs/dbraw/zinc/32/15/96/541321596.db2.gz BIUGXXGGTKPVSG-UHFFFAOYSA-N 0 1 176.263 2.053 10 0 AEAEMN c1ccc([C@H]2CCNc3nccn32)cc1 232480196 541323716 /nfs/dbraw/zinc/32/37/16/541323716.db2.gz OGYDMWFEBLIWMS-LLVKDONJSA-N 0 1 199.257 2.288 10 0 AEAEMN Fc1cccc(CNCC2(F)CC2)c1 381560167 541340370 /nfs/dbraw/zinc/34/03/70/541340370.db2.gz HREOCCKYZPHFJO-UHFFFAOYSA-N 0 1 197.228 2.417 10 0 AEAEMN CC(C)N1CCC(=O)C12CCCCC2 606269228 541347028 /nfs/dbraw/zinc/34/70/28/541347028.db2.gz YHLAAAMXNRACGF-UHFFFAOYSA-N 0 1 195.306 2.373 10 0 AEAEMN CCN1CCC(=O)C12CCCCCC2 606269105 541347302 /nfs/dbraw/zinc/34/73/02/541347302.db2.gz KVWJMWDSZBXBRW-UHFFFAOYSA-N 0 1 195.306 2.374 10 0 AEAEMN CCCN1CCC(=O)C12CCCCC2 606269189 541347684 /nfs/dbraw/zinc/34/76/84/541347684.db2.gz WGSARIXSQMHHKQ-UHFFFAOYSA-N 0 1 195.306 2.374 10 0 AEAEMN CCCNCc1nc(C(C)(C)C)co1 669381194 541350243 /nfs/dbraw/zinc/35/02/43/541350243.db2.gz AVHPURMYSAHEDL-UHFFFAOYSA-N 0 1 196.294 2.472 10 0 AEAEMN CC[C@H]1CC[C@@H](NCC(F)F)C1 147427647 756994479 /nfs/dbraw/zinc/99/44/79/756994479.db2.gz VVIOICBLJZUXNR-JGVFFNPUSA-N 0 1 177.238 2.420 10 0 AEAEMN CC[C@H]1CC[C@H](NCC(F)F)C1 147427222 756995374 /nfs/dbraw/zinc/99/53/74/756995374.db2.gz VVIOICBLJZUXNR-YUMQZZPRSA-N 0 1 177.238 2.420 10 0 AEAEMN CC[C@@H]1CC[C@@H](NCC(F)F)C1 147427424 756995460 /nfs/dbraw/zinc/99/54/60/756995460.db2.gz VVIOICBLJZUXNR-HTQZYQBOSA-N 0 1 177.238 2.420 10 0 AEAEMN CC[C@@H]1CC[C@H](NCC(F)F)C1 147427011 756997177 /nfs/dbraw/zinc/99/71/77/756997177.db2.gz VVIOICBLJZUXNR-SFYZADRCSA-N 0 1 177.238 2.420 10 0 AEAEMN Fc1cc(CN2CCCCC2)ccn1 198679962 757027486 /nfs/dbraw/zinc/02/74/86/757027486.db2.gz QQFJSXZYDOVRJC-UHFFFAOYSA-N 0 1 194.253 2.207 10 0 AEAEMN CN(c1ccncc1)c1cccc(N)c1 259942449 757046768 /nfs/dbraw/zinc/04/67/68/757046768.db2.gz GCEXWECHHMSPMJ-UHFFFAOYSA-N 0 1 199.257 2.432 10 0 AEAEMN C[C@@H]1CN(Cc2ccoc2)CCS1 306337435 757061822 /nfs/dbraw/zinc/06/18/22/757061822.db2.gz HOMIUVGKWLQXCA-SECBINFHSA-N 0 1 197.303 2.217 10 0 AEAEMN CN(C)Cc1cc(F)c(F)c(F)c1 306554296 757068885 /nfs/dbraw/zinc/06/88/85/757068885.db2.gz BKFHZRODZCNTDU-UHFFFAOYSA-N 0 1 189.180 2.166 10 0 AEAEMN CC[C@@H]1CCC[N@@H+]1[C@H](CC)CC(=O)[O-] 251867904 571828358 /nfs/dbraw/zinc/82/83/58/571828358.db2.gz UEKLJBSBZSUACY-NXEZZACHSA-N 0 1 199.294 2.114 10 0 AEAEMN CCC(CC)N(C)Cc1nccn1C 687715410 571686539 /nfs/dbraw/zinc/68/65/39/571686539.db2.gz NQRNHZSNFKOHTA-UHFFFAOYSA-N 0 1 195.310 2.041 10 0 AEAEMN Cc1cc(CN2CCC2)ccc1F 307229747 757087548 /nfs/dbraw/zinc/08/75/48/757087548.db2.gz AKSFMNQJWOMOFF-UHFFFAOYSA-N 0 1 179.238 2.340 10 0 AEAEMN CCc1occc1[C@@H](N)C1=CCCO1 234246489 571861361 /nfs/dbraw/zinc/86/13/61/571861361.db2.gz YVQPQKDPSBESEW-LLVKDONJSA-N 0 1 193.246 2.146 10 0 AEAEMN Cc1ccc([C@H](C)NC2COC2)cc1 82488419 571881725 /nfs/dbraw/zinc/88/17/25/571881725.db2.gz DXGPOAYTDVEODQ-JTQLQIEISA-N 0 1 191.274 2.044 10 0 AEAEMN CCC(CC)[N@H+](C)Cc1c[nH]cn1 308499750 757110653 /nfs/dbraw/zinc/11/06/53/757110653.db2.gz VYZGKZSUFZHSFX-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/32/44/80/573324480.db2.gz HGJCOIDTRDQDKP-ZETCQYMHSA-N 0 1 168.240 2.208 10 0 AEAEMN CNCC(=O)c1ccc(C)cc1Cl 106874819 573324873 /nfs/dbraw/zinc/32/48/73/573324873.db2.gz PPYKFGKZWZYZBR-UHFFFAOYSA-N 0 1 197.665 2.051 10 0 AEAEMN [NH3+]CC1(c2ccc(Cl)c([O-])c2)CC1 106874849 573324635 /nfs/dbraw/zinc/32/46/35/573324635.db2.gz JSPBOWHLDXMETG-UHFFFAOYSA-N 0 1 197.665 2.036 10 0 AEAEMN [O-]c1cc([C@H]2CCC[NH2+]2)ccc1Cl 106874854 573324669 /nfs/dbraw/zinc/32/46/69/573324669.db2.gz JEUFEWIEYVNXFJ-SECBINFHSA-N 0 1 197.665 2.470 10 0 AEAEMN [O-]c1cc([C@@H]2CC[NH2+]C2)ccc1Cl 106874856 573325319 /nfs/dbraw/zinc/32/53/19/573325319.db2.gz OQDSTMQIUNOSRJ-MRVPVSSYSA-N 0 1 197.665 2.123 10 0 AEAEMN CNCC(=O)c1cccc(C)c1Cl 106874817 573325509 /nfs/dbraw/zinc/32/55/09/573325509.db2.gz NCYZHUTWGGTKLE-UHFFFAOYSA-N 0 1 197.665 2.051 10 0 AEAEMN CC1(C)C(=O)CCCN1C1CCCC1 259417578 573325579 /nfs/dbraw/zinc/32/55/79/573325579.db2.gz NFLYEDMHZYRPKM-UHFFFAOYSA-N 0 1 195.306 2.373 10 0 AEAEMN CC(C)(C)C[C@H](N)c1cnco1 74333276 573326380 /nfs/dbraw/zinc/32/63/80/573326380.db2.gz RPSWVSZPZOIZDE-ZETCQYMHSA-N 0 1 168.240 2.111 10 0 AEAEMN CC(C)(C)C[C@@H](N)c1cnco1 74333281 573325853 /nfs/dbraw/zinc/32/58/53/573325853.db2.gz RPSWVSZPZOIZDE-SSDOTTSWSA-N 0 1 168.240 2.111 10 0 AEAEMN CC(C)(C[NH3+])c1cccc([O-])c1Cl 106877644 573326649 /nfs/dbraw/zinc/32/66/49/573326649.db2.gz VDKJCIKMVGZDOC-UHFFFAOYSA-N 0 1 199.681 2.282 10 0 AEAEMN CCc1cc(S)ccc1N 238342906 573326790 /nfs/dbraw/zinc/32/67/90/573326790.db2.gz AEVCJNIZILFDLR-UHFFFAOYSA-N 0 1 153.250 2.120 10 0 AEAEMN C[N@@H+](CCCC(=O)[O-])C1(C)CCCC1 308549219 573328556 /nfs/dbraw/zinc/32/85/56/573328556.db2.gz WUCLXHFVJBTTPK-UHFFFAOYSA-N 0 1 199.294 2.116 10 0 AEAEMN CCCN[C@@H](CC)c1ncc(C)cn1 132717123 573328571 /nfs/dbraw/zinc/32/85/71/573328571.db2.gz LWBOXWGGYPOAPB-JTQLQIEISA-N 0 1 193.294 2.236 10 0 AEAEMN CC[C@H](C)[C@H](NC)c1ncc(C)cn1 132692911 573329187 /nfs/dbraw/zinc/32/91/87/573329187.db2.gz XQVJYLRJNGZBPH-UWVGGRQHSA-N 0 1 193.294 2.092 10 0 AEAEMN CCc1sc(CNC2CC2)nc1C 129517237 573329206 /nfs/dbraw/zinc/32/92/06/573329206.db2.gz UCMJUIAWAQLLOD-UHFFFAOYSA-N 0 1 196.319 2.266 10 0 AEAEMN CCc1ccc(C)n2cncc12 238357829 573329744 /nfs/dbraw/zinc/32/97/44/573329744.db2.gz IPMXHJQYNPFEDZ-UHFFFAOYSA-N 0 1 160.220 2.205 10 0 AEAEMN CCN[C@@H](c1ncc(C)cn1)C(C)C 132708964 573329963 /nfs/dbraw/zinc/32/99/63/573329963.db2.gz WSDMVRWFOOMQQN-SNVBAGLBSA-N 0 1 193.294 2.092 10 0 AEAEMN CC(C)([NH3+])Cc1ccc(Cl)c([O-])c1 106877671 573331415 /nfs/dbraw/zinc/33/14/15/573331415.db2.gz HMPVFCCXNRJFGU-UHFFFAOYSA-N 0 1 199.681 2.325 10 0 AEAEMN C[C@H]1C[C@H](C)N1CCOC(F)(F)F 308345631 573334364 /nfs/dbraw/zinc/33/43/64/573334364.db2.gz VBWAGGMTPOCHRL-BQBZGAKWSA-N 0 1 197.200 2.006 10 0 AEAEMN CCC[C@@H](NCC)c1ncc(C)cn1 132712944 573334401 /nfs/dbraw/zinc/33/44/01/573334401.db2.gz FRSUNZIXVRZWHT-SNVBAGLBSA-N 0 1 193.294 2.236 10 0 AEAEMN C[C@H]1C[C@@H](C)N1CCOC(F)(F)F 308345632 573334432 /nfs/dbraw/zinc/33/44/32/573334432.db2.gz VBWAGGMTPOCHRL-KNVOCYPGSA-N 0 1 197.200 2.006 10 0 AEAEMN CC[C@@H](C)[C@H](NC)c1ncc(C)cn1 132692712 573334483 /nfs/dbraw/zinc/33/44/83/573334483.db2.gz XQVJYLRJNGZBPH-ZJUUUORDSA-N 0 1 193.294 2.092 10 0 AEAEMN CCC[C@H](NCC)c1ncc(C)cn1 132712751 573334530 /nfs/dbraw/zinc/33/45/30/573334530.db2.gz FRSUNZIXVRZWHT-JTQLQIEISA-N 0 1 193.294 2.236 10 0 AEAEMN COc1cccc(NC(=N)SC)c1 107059735 573338217 /nfs/dbraw/zinc/33/82/17/573338217.db2.gz RFRZSJKDZDTYBB-UHFFFAOYSA-N 0 1 196.275 2.405 10 0 AEAEMN CCC[C@@H](CC)NCc1nc(C)no1 132737937 573342294 /nfs/dbraw/zinc/34/22/94/573342294.db2.gz ALRDJRHREQAYSK-SECBINFHSA-N 0 1 197.282 2.046 10 0 AEAEMN C[C@H]1C[C@]1(C)c1ncn(C2CC2)c1N 714679536 573347853 /nfs/dbraw/zinc/34/78/53/573347853.db2.gz MLXOZNKNNABHTE-CPCISQLKSA-N 0 1 191.278 2.098 10 0 AEAEMN CC(C)(C)CC(F)(F)[C@H]1CCN1 258308521 573347153 /nfs/dbraw/zinc/34/71/53/573347153.db2.gz SVZUAASGKPBMHO-SSDOTTSWSA-N 0 1 177.238 2.420 10 0 AEAEMN C[C@@H]1C[C@@]1(C)c1ncn(C2CC2)c1N 714679538 573347317 /nfs/dbraw/zinc/34/73/17/573347317.db2.gz MLXOZNKNNABHTE-RDDDGLTNSA-N 0 1 191.278 2.098 10 0 AEAEMN Cc1ccc2c(C)cnc(N)c2c1 259610019 573348564 /nfs/dbraw/zinc/34/85/64/573348564.db2.gz DPQCJHMELCANCY-UHFFFAOYSA-N 0 1 172.231 2.434 10 0 AEAEMN CCCC(C)(C)NCc1ncccn1 126104550 573348568 /nfs/dbraw/zinc/34/85/68/573348568.db2.gz VAEQYHWKSRDFPR-UHFFFAOYSA-N 0 1 193.294 2.145 10 0 AEAEMN Cc1cc2sc(=S)[n-]c2c[nH+]1 78132727 573357564 /nfs/dbraw/zinc/35/75/64/573357564.db2.gz UOZXUOCZLLUEIY-UHFFFAOYSA-N 0 1 182.273 2.288 10 0 AEAEMN CC(=O)c1cc(-c2ccc(C)o2)[nH]n1 259425952 573357671 /nfs/dbraw/zinc/35/76/71/573357671.db2.gz YUGSNTWHPJSRJH-UHFFFAOYSA-N 0 1 190.202 2.181 10 0 AEAEMN CN[C@@H](CF)c1ccc(C)cc1 107121314 573361686 /nfs/dbraw/zinc/36/16/86/573361686.db2.gz UZIBVZOIBAEHOJ-JTQLQIEISA-N 0 1 167.227 2.225 10 0 AEAEMN C[NH2+][C@H](C)c1cc2cccc([O-])c2o1 258007281 573362069 /nfs/dbraw/zinc/36/20/69/573362069.db2.gz CLPSXUHMEBMBGX-SSDOTTSWSA-N 0 1 191.230 2.419 10 0 AEAEMN C[C@H]1CO[C@@](C)(c2cccc(F)c2)N1 258638315 573366329 /nfs/dbraw/zinc/36/63/29/573366329.db2.gz RYTMVJKRFCTMQQ-KWQFWETISA-N 0 1 195.237 2.007 10 0 AEAEMN C[C@@H]1CC[C@@H](NCC(F)F)[C@@H]1C 83043102 573370404 /nfs/dbraw/zinc/37/04/04/573370404.db2.gz ZMNGFGFVGUXAFX-BWZBUEFSSA-N 0 1 177.238 2.276 10 0 AEAEMN Cc1c(C=O)n[nH]c1-c1ccccc1 107131741 573370438 /nfs/dbraw/zinc/37/04/38/573370438.db2.gz NUKRMZCCIIQKBQ-UHFFFAOYSA-N 0 1 186.214 2.198 10 0 AEAEMN COc1ccc2cc(C)nc(N)c2c1 238373782 573379339 /nfs/dbraw/zinc/37/93/39/573379339.db2.gz UPWUEEOAVHUOQJ-UHFFFAOYSA-N 0 1 188.230 2.134 10 0 AEAEMN CCNCc1ncoc1C1(CC)CC1 308565298 573380085 /nfs/dbraw/zinc/38/00/85/573380085.db2.gz ZVZKNFFLANSSHL-UHFFFAOYSA-N 0 1 194.278 2.226 10 0 AEAEMN CC[C@H](C)NCc1coc(C2CC2)n1 308567451 573384154 /nfs/dbraw/zinc/38/41/54/573384154.db2.gz BCLLWTCHUPVHNQ-QMMMGPOBSA-N 0 1 194.278 2.440 10 0 AEAEMN CC[C@@H](C)c1ccc(CN)o1 107157918 573386254 /nfs/dbraw/zinc/38/62/54/573386254.db2.gz HOOQNNFIMHRGPM-SSDOTTSWSA-N 0 1 153.225 2.252 10 0 AEAEMN CCCc1ncc2c(C=O)cccn12 258309443 573388732 /nfs/dbraw/zinc/38/87/32/573388732.db2.gz PBBSWIKUAPTRJS-UHFFFAOYSA-N 0 1 188.230 2.099 10 0 AEAEMN NCC(F)(F)C1=CCCCCC1 257809955 573398549 /nfs/dbraw/zinc/39/85/49/573398549.db2.gz ABCNDYLMDNHQBY-UHFFFAOYSA-N 0 1 175.222 2.471 10 0 AEAEMN CC[C@H](C)Cc1ccnc(N)c1 86393904 573398566 /nfs/dbraw/zinc/39/85/66/573398566.db2.gz HNCPDKYXUCXCSJ-QMMMGPOBSA-N 0 1 164.252 2.252 10 0 AEAEMN CC[C@@H](C)c1c(C)ccnc1N 86393906 573399025 /nfs/dbraw/zinc/39/90/25/573399025.db2.gz HSSWVMJBBORAFK-SSDOTTSWSA-N 0 1 164.252 2.486 10 0 AEAEMN CC[C@H](C)c1cc(C)cnc1N 86393910 573399447 /nfs/dbraw/zinc/39/94/47/573399447.db2.gz NAVQBHVTKWNMFM-QMMMGPOBSA-N 0 1 164.252 2.486 10 0 AEAEMN CC[C@H](C)c1c(C)ccnc1N 86393907 573399531 /nfs/dbraw/zinc/39/95/31/573399531.db2.gz HSSWVMJBBORAFK-ZETCQYMHSA-N 0 1 164.252 2.486 10 0 AEAEMN CC[C@@H](C)Cc1ccnc(N)c1 86393902 573399582 /nfs/dbraw/zinc/39/95/82/573399582.db2.gz HNCPDKYXUCXCSJ-MRVPVSSYSA-N 0 1 164.252 2.252 10 0 AEAEMN CC[C@H](C)c1ccc([C@@H](N)NC)cc1 259440159 573400316 /nfs/dbraw/zinc/40/03/16/573400316.db2.gz PXPQGUYJJBXKSR-CABZTGNLSA-N 0 1 192.306 2.377 10 0 AEAEMN COc1ccc(CN(C)C)c(Cl)c1 238389439 573406690 /nfs/dbraw/zinc/40/66/90/573406690.db2.gz IGHJAXOWSXFETD-UHFFFAOYSA-N 0 1 199.681 2.410 10 0 AEAEMN Nc1cccc2c(N3CCC3)ccnc12 308796873 573416491 /nfs/dbraw/zinc/41/64/91/573416491.db2.gz JMJQDGGPJRRKRQ-UHFFFAOYSA-N 0 1 199.257 2.027 10 0 AEAEMN C[C@@H](N)c1sc(Cl)nc1Cl 238382909 573419212 /nfs/dbraw/zinc/41/92/12/573419212.db2.gz FFXSEBGOWBFJDX-UWTATZPHSA-N 0 1 197.090 2.470 10 0 AEAEMN Cc1n[nH]c2c(Cl)ccc(N)c12 259444306 573420015 /nfs/dbraw/zinc/42/00/15/573420015.db2.gz PGWYTMKGROFDNN-UHFFFAOYSA-N 0 1 181.626 2.107 10 0 AEAEMN FC(F)(C1CCCC1)[C@@H]1CCN1 257811658 573427127 /nfs/dbraw/zinc/42/71/27/573427127.db2.gz BGLBVKJWJLYQAX-QMMMGPOBSA-N 0 1 175.222 2.174 10 0 AEAEMN CN(C)[C@@H]1CCNc2cccc(F)c21 257811855 573431164 /nfs/dbraw/zinc/43/11/64/573431164.db2.gz BKLROTRXIJHBPI-SNVBAGLBSA-N 0 1 194.253 2.244 10 0 AEAEMN CC(C)C[C@@](C)(F)C(F)(F)CN 257812386 573434520 /nfs/dbraw/zinc/43/45/20/573434520.db2.gz BOLSMOVVHOOWHD-SSDOTTSWSA-N 0 1 183.217 2.355 10 0 AEAEMN C[C@@H](N)c1ncc(C2CC2)s1 107223593 573434868 /nfs/dbraw/zinc/43/48/68/573434868.db2.gz BAEMMAZRGAOIMS-RXMQYKEDSA-N 0 1 168.265 2.040 10 0 AEAEMN C[C@@H](F)c1nc2ccc(N)cc2[nH]1 107255636 573446777 /nfs/dbraw/zinc/44/67/77/573446777.db2.gz JIXIBFPUUHBTIS-RXMQYKEDSA-N 0 1 179.198 2.176 10 0 AEAEMN CC(C)c1nc(CO)[nH]c1C(C)(C)C 257814163 573457505 /nfs/dbraw/zinc/45/75/05/573457505.db2.gz CIQZYZRPUGZMLT-UHFFFAOYSA-N 0 1 196.294 2.323 10 0 AEAEMN NC1(c2nc(C3CCC3)co2)CCC1 257814258 573457670 /nfs/dbraw/zinc/45/76/70/573457670.db2.gz CNKJIBSCPLVZKO-UHFFFAOYSA-N 0 1 192.262 2.280 10 0 AEAEMN CC[C@H](F)CN[C@@H](C)c1ccccn1 308590855 573457864 /nfs/dbraw/zinc/45/78/64/573457864.db2.gz KGMPGMRDLAJDEC-UWVGGRQHSA-N 0 1 196.269 2.480 10 0 AEAEMN C[C@H](N)C(F)(F)Cc1ccccc1 107274259 573467858 /nfs/dbraw/zinc/46/78/58/573467858.db2.gz XCGWQKWIISLEKH-QMMMGPOBSA-N 0 1 185.217 2.212 10 0 AEAEMN CCSc1ccc([C@H](N)OC)cc1 259463507 573467926 /nfs/dbraw/zinc/46/79/26/573467926.db2.gz OSMGTUMPZWAHCN-SNVBAGLBSA-N 0 1 197.303 2.402 10 0 AEAEMN CCCCNCc1coc(C2CC2)n1 308592413 573468025 /nfs/dbraw/zinc/46/80/25/573468025.db2.gz KWKPAIFDRBDQCZ-UHFFFAOYSA-N 0 1 194.278 2.442 10 0 AEAEMN CCC[C@H](C)[C@@H](O)[C@H](N)c1ccco1 308584151 573468470 /nfs/dbraw/zinc/46/84/70/573468470.db2.gz LGCPWJZGJYRQEW-JMJZKYOTSA-N 0 1 197.278 2.077 10 0 AEAEMN FC1(F)CN[C@@H](Cc2ccccc2)C1 107274359 573468685 /nfs/dbraw/zinc/46/86/85/573468685.db2.gz WRCRGOOYONEPID-JTQLQIEISA-N 0 1 197.228 2.226 10 0 AEAEMN Fc1ccccc1[C@H]1NCC[C@@H]1F 107275383 573469132 /nfs/dbraw/zinc/46/91/32/573469132.db2.gz LVEOUDPXQMDCMV-VHSXEESVSA-N 0 1 183.201 2.198 10 0 AEAEMN CCC(C)(C)NCc1ncc(C)cn1 308583835 573469256 /nfs/dbraw/zinc/46/92/56/573469256.db2.gz HQOGGDHQFKEISO-UHFFFAOYSA-N 0 1 193.294 2.063 10 0 AEAEMN 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