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/nfs/dbraw/zinc/59/33/67/168593367.db2.gz SOYYFHTZWDRSKD-LJNWBWRRSA-N 0 0 181.191 1.448 40 30 ADEBRN C[C@H]1CC[C@@H]1Cn1ccc(C#N)n1 242728158 168622966 /nfs/dbraw/zinc/62/29/66/168622966.db2.gz YVURKPHHQLOIDA-DTWKUNHWSA-N 0 0 175.235 1.801 40 30 ADEBRN C[C@H]1N=C(NC#N)Nc2ccccc21 16609775 168667142 /nfs/dbraw/zinc/66/71/42/168667142.db2.gz PTXBYNGQQPVUBZ-SSDOTTSWSA-N 0 0 186.218 1.600 40 30 ADEBRN C[C@H]1[C@H]2O[C@H]2C[P@]1(C)=O 5371955 168680224 /nfs/dbraw/zinc/68/02/24/168680224.db2.gz HJKQRPIKYAQDFL-CRBZEHORSA-N 0 0 146.126 1.149 40 30 ADEBRN C[C@]1(C#N)CCCS1 85399322 168683811 /nfs/dbraw/zinc/68/38/11/168683811.db2.gz LELSDQAZXARHFP-ZCFIWIBFSA-N 0 0 127.212 1.796 40 30 ADEBRN C[C@]1(NO)CCCCC1=NO 254512400 168687786 /nfs/dbraw/zinc/68/77/86/168687786.db2.gz MJENAPUQGSSKTH-ZETCQYMHSA-N 0 0 158.201 1.128 40 30 ADEBRN C[C@]1(O)CC(=O)C=C(c2ccco2)C1 40538558 168688064 /nfs/dbraw/zinc/68/80/64/168688064.db2.gz PUTJOOVUKNGWGR-LLVKDONJSA-N 0 0 192.214 1.777 40 30 ADEBRN 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169128359 /nfs/dbraw/zinc/12/83/59/169128359.db2.gz CJYPDGRCXRPJLB-UHFFFAOYSA-N 0 0 169.187 1.948 40 30 ADEBRN N#Cc1cnc(NC(=O)C2CC2)s1 56908283 169128409 /nfs/dbraw/zinc/12/84/09/169128409.db2.gz XFOZQICXGJHUSU-UHFFFAOYSA-N 0 0 193.231 1.363 40 30 ADEBRN N#Cc1cnc(N)nc1-c1ccccc1 129223 169128428 /nfs/dbraw/zinc/12/84/28/169128428.db2.gz JYBNISLZUQBVIK-UHFFFAOYSA-N 0 0 196.213 1.597 40 30 ADEBRN N#Cc1c[nH]cc(Br)c1=O 96515757 169128430 /nfs/dbraw/zinc/12/84/30/169128430.db2.gz JJNPXAFLCPYPCD-UHFFFAOYSA-N 0 0 199.007 1.421 40 30 ADEBRN N#Cc1cn(-c2ccc(N)cc2)cn1 217747310 169128440 /nfs/dbraw/zinc/12/84/40/169128440.db2.gz BCHZGUMNTNPYPM-UHFFFAOYSA-N 0 0 184.202 1.326 40 30 ADEBRN N#Cc1cn(-c2ccccc2N)cn1 217747226 169128565 /nfs/dbraw/zinc/12/85/65/169128565.db2.gz TXHWGPVCHUXIKD-UHFFFAOYSA-N 0 0 184.202 1.326 40 30 ADEBRN N#Cc1cnc2c(c1)C(=O)CCC2 72207319 169128567 /nfs/dbraw/zinc/12/85/67/169128567.db2.gz PBBXKVVQXIIKPO-UHFFFAOYSA-N 0 0 172.187 1.472 40 30 ADEBRN N#Cc1cnc2cccnc2c1N 76499698 169128633 /nfs/dbraw/zinc/12/86/33/169128633.db2.gz OYVRRDXPLFALPH-UHFFFAOYSA-N 0 0 170.175 1.084 40 30 ADEBRN N#Cc1cnc2c(c1)CCC[C@@H]2O 96510551 169128656 /nfs/dbraw/zinc/12/86/56/169128656.db2.gz VSXFWASHRMRFQB-VIFPVBQESA-N 0 0 174.203 1.323 40 30 ADEBRN N#Cc1cn(Cc2ccccc2)nc1N 34116126 169128706 /nfs/dbraw/zinc/12/87/06/169128706.db2.gz OQGLNJKWYIEESV-UHFFFAOYSA-N 0 0 198.229 1.385 40 30 in-vitro ADEBRN N#Cc1cnc(N)cc1Cl 145055591 169128968 /nfs/dbraw/zinc/12/89/68/169128968.db2.gz OGAMEMYFVKKANA-UHFFFAOYSA-N 0 0 153.572 1.189 40 30 ADEBRN N#Cc1cn(-c2cccnc2)cn1 217748292 169129070 /nfs/dbraw/zinc/12/90/70/169129070.db2.gz LIGVVMZSNVESJD-UHFFFAOYSA-N 0 0 170.175 1.139 40 30 ADEBRN N#Cc1cnc(C(F)(F)F)nc1 35322955 169129204 /nfs/dbraw/zinc/12/92/04/169129204.db2.gz IGNHQIRJJFLMDF-UHFFFAOYSA-N 0 0 173.097 1.367 40 30 ADEBRN N#Cc1cnc2ccncc2c1N 95534979 169129217 /nfs/dbraw/zinc/12/92/17/169129217.db2.gz QHRYSTGMRWUGJR-UHFFFAOYSA-N 0 0 170.175 1.084 40 30 ADEBRN N#Cc1ccoc1Br 12370773 169129274 /nfs/dbraw/zinc/12/92/74/169129274.db2.gz NVOHYBBWRRHLKB-UHFFFAOYSA-N 0 0 171.981 1.914 40 30 ADEBRN N#Cc1ccsc1[N+](=O)[O-] 334384 169129281 /nfs/dbraw/zinc/12/92/81/169129281.db2.gz OKTNJZDGVBOZLX-UHFFFAOYSA-N 0 0 154.150 1.528 40 30 ADEBRN N#Cc1cnc2c(c1)CCC[C@H]2O 96510552 169129310 /nfs/dbraw/zinc/12/93/10/169129310.db2.gz VSXFWASHRMRFQB-SECBINFHSA-N 0 0 174.203 1.323 40 30 ADEBRN N#Cc1cnc2c(c1)CCC2 32188557 169129311 /nfs/dbraw/zinc/12/93/11/169129311.db2.gz CBSWJMBIOWVOOC-UHFFFAOYSA-N 0 0 144.177 1.442 40 30 ADEBRN N#Cc1cncc(C(F)F)c1 107267919 169129314 /nfs/dbraw/zinc/12/93/14/169129314.db2.gz RPNAVUNIAMXURQ-UHFFFAOYSA-N 0 0 154.119 1.891 40 30 ADEBRN N#Cc1cn(C2CCCCC2)nc1N 96515745 169129348 /nfs/dbraw/zinc/12/93/48/169129348.db2.gz FJWZIIGYYKFXCP-UHFFFAOYSA-N 0 0 190.250 1.842 40 30 ADEBRN N#Cc1cnc2c(c1)CCCN2 40165662 169129446 /nfs/dbraw/zinc/12/94/46/169129446.db2.gz HIHAFJSYXOICCM-UHFFFAOYSA-N 0 0 159.192 1.311 40 30 ADEBRN N#Cc1cnn([C@H]2CCCCO2)c1 96526499 169129839 /nfs/dbraw/zinc/12/98/39/169129839.db2.gz OEHGKTKHZPZBGM-SECBINFHSA-N 0 0 177.207 1.454 40 30 ADEBRN N#Cc1coc(Cl)n1 95936576 169129846 /nfs/dbraw/zinc/12/98/46/169129846.db2.gz LCWUBFNXCPJSSC-UHFFFAOYSA-N 0 0 128.518 1.200 40 30 in-vitro ADEBRN N#Cc1cscc1N 34330491 169129865 /nfs/dbraw/zinc/12/98/65/169129865.db2.gz DQQYHRHJUXPLIV-UHFFFAOYSA-N 0 0 124.168 1.202 40 30 ADEBRN N#Cc1cncc(OCC(F)F)c1 242463470 169129979 /nfs/dbraw/zinc/12/99/79/169129979.db2.gz DBXCWSVEANENBE-UHFFFAOYSA-N 0 0 184.145 1.597 40 30 ADEBRN N#Cc1cncc(OC2CCC2)c1 238581009 169129990 /nfs/dbraw/zinc/12/99/90/169129990.db2.gz LHRZYVDVSUWTNP-UHFFFAOYSA-N 0 0 174.203 1.885 40 30 ADEBRN N#Cc1c[nH]cc(Cl)c1=O 96510531 169130054 /nfs/dbraw/zinc/13/00/54/169130054.db2.gz DXOJRGWEQWHCFG-UHFFFAOYSA-N 0 0 154.556 1.312 40 30 ADEBRN N#Cc1cncc2cccnc12 26460112 169130083 /nfs/dbraw/zinc/13/00/83/169130083.db2.gz CQPLNIMGZGYFNB-UHFFFAOYSA-N 0 0 155.160 1.501 40 30 ADEBRN N#Cc1cncc([N+](=O)[O-])c1Cl 96510529 169130109 /nfs/dbraw/zinc/13/01/09/169130109.db2.gz BOEIUZDSSDLANI-UHFFFAOYSA-N 0 0 183.554 1.515 40 30 ADEBRN N#Cc1cncc(N)c1Cl 217534417 169130113 /nfs/dbraw/zinc/13/01/13/169130113.db2.gz AYNPVVCLURUUBX-UHFFFAOYSA-N 0 0 153.572 1.189 40 30 ADEBRN N#Cc1cnn(CC2CCC2)c1 95093961 169130132 /nfs/dbraw/zinc/13/01/32/169130132.db2.gz XAOYLHBQTNOJGE-UHFFFAOYSA-N 0 0 161.208 1.555 40 30 ADEBRN N#Cc1cnnc(-c2ccccc2)c1N 34251116 169130168 /nfs/dbraw/zinc/13/01/68/169130168.db2.gz CLYADHQLCKKRNL-UHFFFAOYSA-N 0 0 196.213 1.597 40 30 ADEBRN N#Cc1cncnc1C(F)F 95643286 169130214 /nfs/dbraw/zinc/13/02/14/169130214.db2.gz WXBWLEHJIKUVOP-UHFFFAOYSA-N 0 0 155.107 1.286 40 30 in-vitro ADEBRN N#Cc1c[nH]cc(Cl)c1=S 217730103 169130352 /nfs/dbraw/zinc/13/03/52/169130352.db2.gz XUDIPZWQBNERLG-UHFFFAOYSA-N 0 0 170.624 1.895 40 30 ADEBRN N#Cc1cnn2cccc2c1Cl 97446470 169130376 /nfs/dbraw/zinc/13/03/76/169130376.db2.gz JEPKPYFBXZIGCN-UHFFFAOYSA-N 0 0 177.594 1.859 40 30 ADEBRN N#Cc1cnn(CC2CCCC2)c1 96526493 169130387 /nfs/dbraw/zinc/13/03/87/169130387.db2.gz OAXVHESAJYKKBM-UHFFFAOYSA-N 0 0 175.235 1.945 40 30 ADEBRN N#Cc1cnccc1F 71864129 169130407 /nfs/dbraw/zinc/13/04/07/169130407.db2.gz BIUGUCBZWRUHGY-UHFFFAOYSA-N 0 0 122.102 1.092 40 30 ADEBRN N#Cc1csc2nnsc12 337161 169130436 /nfs/dbraw/zinc/13/04/36/169130436.db2.gz PPGZCQLMTHOPGU-UHFFFAOYSA-N 0 0 167.218 1.624 40 30 ADEBRN N#Cc1cnccc1C1CC1 17939998 169130456 /nfs/dbraw/zinc/13/04/56/169130456.db2.gz YAFJSMQTZSFJOG-UHFFFAOYSA-N 0 0 144.177 1.831 40 30 ADEBRN N#Cc1cnn(C(F)(F)F)c1 217571610 169130460 /nfs/dbraw/zinc/13/04/60/169130460.db2.gz JWXTXLFFQHTTQA-UHFFFAOYSA-N 0 0 161.086 1.231 40 30 ADEBRN N#Cc1cncc2c1CCC2 75529623 169130712 /nfs/dbraw/zinc/13/07/12/169130712.db2.gz PUSDCJBEIWPQRN-UHFFFAOYSA-N 0 0 144.177 1.442 40 30 ADEBRN N#Cc1cnn([C@@H]2CCCCO2)c1 96526497 169130839 /nfs/dbraw/zinc/13/08/39/169130839.db2.gz OEHGKTKHZPZBGM-VIFPVBQESA-N 0 0 177.207 1.454 40 30 ADEBRN N#Cc1nc(Cl)c(Cl)nc1N 39418695 169130959 /nfs/dbraw/zinc/13/09/59/169130959.db2.gz YSJNSSANBISNQN-UHFFFAOYSA-N 0 0 189.005 1.237 40 30 ADEBRN N#Cc1nc(Cl)n2ccccc12 225745724 169131034 /nfs/dbraw/zinc/13/10/34/169131034.db2.gz BBWJVZNGPPDRTB-UHFFFAOYSA-N 0 0 177.594 1.859 40 30 ADEBRN N#Cc1nc(Cl)cc(N)c1[N+](=O)[O-] 104485978 169131056 /nfs/dbraw/zinc/13/10/56/169131056.db2.gz KAYQVFYDILZZJH-UHFFFAOYSA-N 0 0 198.569 1.097 40 30 ADEBRN N#Cc1nc(F)ccc1F 82049586 169131067 /nfs/dbraw/zinc/13/10/67/169131067.db2.gz JSPRZDXXXSWLHX-UHFFFAOYSA-N 0 0 140.092 1.231 40 30 ADEBRN N#Cc1ncn(-c2ccccc2)c1N 5593795 169131209 /nfs/dbraw/zinc/13/12/09/169131209.db2.gz QLWSVYXOJPTUPR-UHFFFAOYSA-N 0 0 184.202 1.326 40 30 ADEBRN N#Cc1ncnc2ccsc12 95932010 169131363 /nfs/dbraw/zinc/13/13/63/169131363.db2.gz MPLADDNNXARQFV-UHFFFAOYSA-N 0 0 161.189 1.563 40 30 ADEBRN N#Cc1ncsc1Cl 39134448 169131690 /nfs/dbraw/zinc/13/16/90/169131690.db2.gz DYCZOLKTTZYKLA-UHFFFAOYSA-N 0 0 144.586 1.668 40 30 in-vitro ADEBRN N#Cc1nn(CC2CCC2)cc1N 242437267 169131842 /nfs/dbraw/zinc/13/18/42/169131842.db2.gz BVQIUSGUEOYGTC-UHFFFAOYSA-N 0 0 176.223 1.137 40 30 ADEBRN N#Cc1nncc(-c2ccccc2)n1 3851404 169131848 /nfs/dbraw/zinc/13/18/48/169131848.db2.gz MVWPMZHBPZBJIY-UHFFFAOYSA-N 0 0 182.186 1.410 40 30 ADEBRN N#Cc1ncncc1C(F)(F)F 218731024 169131899 /nfs/dbraw/zinc/13/18/99/169131899.db2.gz GHJAAYUYJOTOTH-UHFFFAOYSA-N 0 0 173.097 1.367 40 30 ADEBRN N/C(Cc1noc2ccccc12)=N\O 5430692 169132563 /nfs/dbraw/zinc/13/25/63/169132563.db2.gz JIYRBTHORWEQJM-UHFFFAOYSA-N 0 0 191.190 1.117 40 30 ADEBRN N/C(Cc1cccc(F)c1F)=N\O 36888614 169132731 /nfs/dbraw/zinc/13/27/31/169132731.db2.gz RJERWWRYTCKRSW-UHFFFAOYSA-N 0 0 186.161 1.254 40 30 ADEBRN N/C(Cc1ccc(F)cc1F)=N\O 6453297 169132831 /nfs/dbraw/zinc/13/28/31/169132831.db2.gz AVFVJSDKHZFFPM-UHFFFAOYSA-N 0 0 186.161 1.254 40 30 ADEBRN N/C(Cc1c[nH]c2ccccc12)=N/O 2547403 169133217 /nfs/dbraw/zinc/13/32/17/169133217.db2.gz UUOLQXBJGBOJGQ-UHFFFAOYSA-N 0 0 189.218 1.457 40 30 biogenic ADEBRN N/C(=N\O)C1(c2ccccc2)CC1 62780126 169133413 /nfs/dbraw/zinc/13/34/13/169133413.db2.gz QSLURBVCIYBHAF-UHFFFAOYSA-N 0 0 176.219 1.465 40 30 ADEBRN NC(=S)N=NCc1ccccc1 19912120 169133735 /nfs/dbraw/zinc/13/37/35/169133735.db2.gz UYHCMAZIKNVDSX-POHAHGRESA-N 0 0 179.248 1.265 40 30 ADEBRN N=NC1C[C@@H]2CCC[C@](O)(C1)C2 217620301 169133971 /nfs/dbraw/zinc/13/39/71/169133971.db2.gz XRIAJQOVIITMQG-ZZUALLCQSA-N 0 0 168.240 1.016 40 30 ADEBRN NN=C(c1ccccc1)c1ccncc1 4803909 169134057 /nfs/dbraw/zinc/13/40/57/169134057.db2.gz VUPUTOGGTDBQIW-NTCAYCPXSA-N 0 0 197.241 1.793 40 30 ADEBRN NN=C1c2ccccc2-n2cccc21 4235195 169134462 /nfs/dbraw/zinc/13/44/62/169134462.db2.gz WKHKXHWSSPTGFL-QBFSEMIESA-N 0 0 183.214 1.502 40 30 ADEBRN N/N=C/c1cc(Cl)ccc1O 6925724 169134490 /nfs/dbraw/zinc/13/44/90/169134490.db2.gz LSRVEEILLWSRBX-ONNFQVAWSA-N 0 0 170.599 1.338 40 30 ADEBRN N/N=C/c1ccc(Cl)cc1 3075609 169134519 /nfs/dbraw/zinc/13/45/19/169134519.db2.gz YURDSJGWWXAEBA-BJMVGYQFSA-N 0 0 154.600 1.633 40 30 ADEBRN NN=Cc1cccc2cccnc12 98175583 169134520 /nfs/dbraw/zinc/13/45/20/169134520.db2.gz PHAAKALYPUGZPF-QPEQYQDCSA-N 0 0 171.203 1.527 40 30 ADEBRN NN=Cc1ccc(F)c(F)c1 98175582 169134521 /nfs/dbraw/zinc/13/45/21/169134521.db2.gz LILZUHHHHKPOIY-WCIBSUBMSA-N 0 0 156.135 1.257 40 30 ADEBRN N/N=C/c1ccc(F)cc1 5893819 169134547 /nfs/dbraw/zinc/13/45/47/169134547.db2.gz DTWXQPNQLDOYHA-BJMVGYQFSA-N 0 0 138.145 1.118 40 30 ADEBRN NN=C(c1ccccc1)c1ccccn1 17302717 169134569 /nfs/dbraw/zinc/13/45/69/169134569.db2.gz NPIHYGZWEUGMNG-NTCAYCPXSA-N 0 0 197.241 1.793 40 30 ADEBRN N/N=C(/c1ccccc1)c1ccccn1 1677168 169134585 /nfs/dbraw/zinc/13/45/85/169134585.db2.gz NPIHYGZWEUGMNG-QINSGFPZSA-N 0 0 197.241 1.793 40 30 ADEBRN NC=NOCc1ccccc1 6575058 169134651 /nfs/dbraw/zinc/13/46/51/169134651.db2.gz ROILTULNFNMYOZ-UHFFFAOYSA-N 0 0 150.181 1.105 40 30 ADEBRN NN=Cc1ccccc1Cl 3071760 169134743 /nfs/dbraw/zinc/13/47/43/169134743.db2.gz IZKCWJUTZCUYDW-BJMVGYQFSA-N 0 0 154.600 1.633 40 30 ADEBRN NN=Cc1cccc(Br)c1 33836153 169134771 /nfs/dbraw/zinc/13/47/71/169134771.db2.gz GGZWOCICSGRRTL-BJMVGYQFSA-N 0 0 199.051 1.742 40 30 ADEBRN NN=Cc1ccc2ccccc2n1 1597547 169134805 /nfs/dbraw/zinc/13/48/05/169134805.db2.gz BZMACHUNHDHDHT-KPKJPENVSA-N 0 0 171.203 1.527 40 30 ADEBRN NC=C1Cc2ccccc2C1=O 100376269 169134906 /nfs/dbraw/zinc/13/49/06/169134906.db2.gz HJOUSWJOPKLCGA-VURMDHGXSA-N 0 0 159.188 1.268 40 30 in-man ADEBRN NN=Cc1cccc(Cl)c1 5756915 169134936 /nfs/dbraw/zinc/13/49/36/169134936.db2.gz UWOUMSRAKRIWOA-BJMVGYQFSA-N 0 0 154.600 1.633 40 30 ADEBRN N=NC1C[C@H]2CCC[C@@](O)(C1)C2 217620569 169135031 /nfs/dbraw/zinc/13/50/31/169135031.db2.gz XRIAJQOVIITMQG-DURAAXSDSA-N 0 0 168.240 1.016 40 30 ADEBRN NN=C1CCc2ccccc21 16978709 169135089 /nfs/dbraw/zinc/13/50/89/169135089.db2.gz ZFFYDQAURJCWPQ-LUAWRHEFSA-N 0 0 146.193 1.296 40 30 ADEBRN NN=Cc1cccc(C(F)(F)F)c1 98175584 169135111 /nfs/dbraw/zinc/13/51/11/169135111.db2.gz HUORSYLUSVYYTR-ACAGNQJTSA-N 0 0 188.152 1.998 40 30 ADEBRN NN=Cc1ccc2ccccc2n1 17159245 169135112 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