smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1coc(C[NH2+]Cc2cscn2)c1 40419991 537838489 /nfs/dbraw/zinc/83/84/89/537838489.db2.gz LUIVHNSAJSFZFK-UHFFFAOYSA-N 1 2 194.259 2.026 20 0 AEADLO Cc1ccc(C[NH2+]CC(F)F)s1 50225567 537860457 /nfs/dbraw/zinc/86/04/57/537860457.db2.gz GUIFXFBTCSFVDM-UHFFFAOYSA-N 1 2 191.246 2.411 20 0 AEADLO CC(C)c1ccc([C@@H]2COCC[NH2+]2)o1 83280234 537898069 /nfs/dbraw/zinc/89/80/69/537898069.db2.gz SWACNZSCEJTQIV-VIFPVBQESA-N 1 2 195.262 2.064 20 0 AEADLO CC(C)c1ccc([C@H]2COCC[NH2+]2)o1 83280235 537899945 /nfs/dbraw/zinc/89/99/45/537899945.db2.gz SWACNZSCEJTQIV-SECBINFHSA-N 1 2 195.262 2.064 20 0 AEADLO CC/C=C\CCn1cc[nH+]c1 139807289 537994866 /nfs/dbraw/zinc/99/48/66/537994866.db2.gz JYFNJHBGSTWWGC-ARJAWSKDSA-N 1 2 150.225 2.239 20 0 AEADLO CO[C@H](C)[C@@H](C)Nc1ccc(C)[nH+]c1 162931917 538076322 /nfs/dbraw/zinc/07/63/22/538076322.db2.gz AEOKNOXHFSEROR-NXEZZACHSA-N 1 2 194.278 2.225 20 0 AEADLO CO[C@H](C)[C@H](C)Nc1ccc(C)[nH+]c1 162931787 538076730 /nfs/dbraw/zinc/07/67/30/538076730.db2.gz AEOKNOXHFSEROR-VHSXEESVSA-N 1 2 194.278 2.225 20 0 AEADLO CO[C@@H](C)[C@H](C)Nc1ccc[nH+]c1C 162943376 538078521 /nfs/dbraw/zinc/07/85/21/538078521.db2.gz PGFTXUAAQCBXGN-WPRPVWTQSA-N 1 2 194.278 2.225 20 0 AEADLO CO[C@@H](C)[C@@H](C)Nc1ccc(C)[nH+]c1 162932157 538076787 /nfs/dbraw/zinc/07/67/87/538076787.db2.gz AEOKNOXHFSEROR-ZJUUUORDSA-N 1 2 194.278 2.225 20 0 AEADLO CO[C@@H](C)[C@@H](C)Nc1ccc[nH+]c1C 162943499 538076830 /nfs/dbraw/zinc/07/68/30/538076830.db2.gz PGFTXUAAQCBXGN-SCZZXKLOSA-N 1 2 194.278 2.225 20 0 AEADLO CCOC[C@H](C)Nc1ccc(C)[nH+]c1 162930884 538077093 /nfs/dbraw/zinc/07/70/93/538077093.db2.gz RECAFSYGTUDKBM-JTQLQIEISA-N 1 2 194.278 2.227 20 0 AEADLO CCOC[C@H](C)Nc1ccc[nH+]c1C 162942285 538077512 /nfs/dbraw/zinc/07/75/12/538077512.db2.gz LUUMYLOHMXJDHI-VIFPVBQESA-N 1 2 194.278 2.227 20 0 AEADLO CO[C@@H](C)[C@H](C)Nc1ccc(C)[nH+]c1 162932043 538077838 /nfs/dbraw/zinc/07/78/38/538077838.db2.gz AEOKNOXHFSEROR-UWVGGRQHSA-N 1 2 194.278 2.225 20 0 AEADLO CCOC[C@@H](C)Nc1ccc(C)[nH+]c1 162930745 538078102 /nfs/dbraw/zinc/07/81/02/538078102.db2.gz RECAFSYGTUDKBM-SNVBAGLBSA-N 1 2 194.278 2.227 20 0 AEADLO CCOC[C@@H](C)Nc1ccc[nH+]c1C 162942187 538078502 /nfs/dbraw/zinc/07/85/02/538078502.db2.gz LUUMYLOHMXJDHI-SECBINFHSA-N 1 2 194.278 2.227 20 0 AEADLO CO[C@H](C)[C@H](C)Nc1ccc[nH+]c1C 162943139 538078720 /nfs/dbraw/zinc/07/87/20/538078720.db2.gz PGFTXUAAQCBXGN-WCBMZHEXSA-N 1 2 194.278 2.225 20 0 AEADLO CO[C@H](C)[C@@H](C)Nc1ccc[nH+]c1C 162943255 538079010 /nfs/dbraw/zinc/07/90/10/538079010.db2.gz PGFTXUAAQCBXGN-PSASIEDQSA-N 1 2 194.278 2.225 20 0 AEADLO COCC[C@H](C)Nc1ccc(C)[nH+]c1 164554605 538144187 /nfs/dbraw/zinc/14/41/87/538144187.db2.gz SUYSLLOACNUTBV-JTQLQIEISA-N 1 2 194.278 2.227 20 0 AEADLO COCC[C@@H](C)Nc1ccc(C)[nH+]c1 164554731 538144213 /nfs/dbraw/zinc/14/42/13/538144213.db2.gz SUYSLLOACNUTBV-SNVBAGLBSA-N 1 2 194.278 2.227 20 0 AEADLO COc1ccc[nH+]c1NC1CC(C)C1 166649208 538161958 /nfs/dbraw/zinc/16/19/58/538161958.db2.gz LWIAWHMZEKYPBG-UHFFFAOYSA-N 1 2 192.262 2.301 20 0 AEADLO CCOC(C)(C)CNc1cccc[nH+]1 167063318 538167445 /nfs/dbraw/zinc/16/74/45/538167445.db2.gz YKHYHVCOTNOVNI-UHFFFAOYSA-N 1 2 194.278 2.309 20 0 AEADLO CCc1cc(NCC=C(C)C)nc[nH+]1 234138504 538238207 /nfs/dbraw/zinc/23/82/07/538238207.db2.gz AVPAXEPBLTXFGN-UHFFFAOYSA-N 1 2 191.278 2.417 20 0 AEADLO COc1ccc[nH+]c1NCC=C(C)C 234948436 538240966 /nfs/dbraw/zinc/24/09/66/538240966.db2.gz SMNQEQYOKKSOND-UHFFFAOYSA-N 1 2 192.262 2.468 20 0 AEADLO CCCN(C)c1[nH]c2ccccc2[nH+]1 258885097 538288974 /nfs/dbraw/zinc/28/89/74/538288974.db2.gz SHVODXCYXZRTQZ-UHFFFAOYSA-N 1 2 189.262 2.409 20 0 AEADLO CC[C@]1(C)CC[N@H+](CC(F)F)C1 306523249 538306518 /nfs/dbraw/zinc/30/65/18/538306518.db2.gz NJRVZJNSBMERFX-SECBINFHSA-N 1 2 177.238 2.374 20 0 AEADLO CC[C@]1(C)CC[N@@H+](CC(F)F)C1 306523249 538306523 /nfs/dbraw/zinc/30/65/23/538306523.db2.gz NJRVZJNSBMERFX-SECBINFHSA-N 1 2 177.238 2.374 20 0 AEADLO CC[C@@]1(C)CC[N@H+](CC(F)F)C1 306523250 538306610 /nfs/dbraw/zinc/30/66/10/538306610.db2.gz NJRVZJNSBMERFX-VIFPVBQESA-N 1 2 177.238 2.374 20 0 AEADLO CC[C@@]1(C)CC[N@@H+](CC(F)F)C1 306523250 538306615 /nfs/dbraw/zinc/30/66/15/538306615.db2.gz NJRVZJNSBMERFX-VIFPVBQESA-N 1 2 177.238 2.374 20 0 AEADLO CCC(CC)c1noc(C[NH+](C)C)n1 350645952 538329718 /nfs/dbraw/zinc/32/97/18/538329718.db2.gz UFMGGPSOKSYDTO-UHFFFAOYSA-N 1 2 197.282 2.035 20 0 AEADLO C[C@H]([N@H+](C)CC(F)F)C1(C)CC1 379319445 538340632 /nfs/dbraw/zinc/34/06/32/538340632.db2.gz QNMDVOAUZYBNDH-ZETCQYMHSA-N 1 2 177.238 2.372 20 0 AEADLO C[C@H]([N@@H+](C)CC(F)F)C1(C)CC1 379319445 538340639 /nfs/dbraw/zinc/34/06/39/538340639.db2.gz QNMDVOAUZYBNDH-ZETCQYMHSA-N 1 2 177.238 2.372 20 0 AEADLO C[C@@H]([N@H+](C)CC(F)F)C1(C)CC1 379319444 538340861 /nfs/dbraw/zinc/34/08/61/538340861.db2.gz QNMDVOAUZYBNDH-SSDOTTSWSA-N 1 2 177.238 2.372 20 0 AEADLO C[C@@H]([N@@H+](C)CC(F)F)C1(C)CC1 379319444 538340869 /nfs/dbraw/zinc/34/08/69/538340869.db2.gz QNMDVOAUZYBNDH-SSDOTTSWSA-N 1 2 177.238 2.372 20 0 AEADLO c1c[nH+]c(COCC2CCCC2)[nH]1 379417362 538410230 /nfs/dbraw/zinc/41/02/30/538410230.db2.gz ULRFFYRSEYCVFP-UHFFFAOYSA-N 1 2 180.251 2.117 20 0 AEADLO CC[C@@H](O)CCCNc1cccc[nH+]1 379573330 538416683 /nfs/dbraw/zinc/41/66/83/538416683.db2.gz IRHAGUDMVYQHQC-SNVBAGLBSA-N 1 2 194.278 2.045 20 0 AEADLO CC[C@H](O)CCCNc1cccc[nH+]1 379573329 538417204 /nfs/dbraw/zinc/41/72/04/538417204.db2.gz IRHAGUDMVYQHQC-JTQLQIEISA-N 1 2 194.278 2.045 20 0 AEADLO FCCCCCn1cc[nH+]c1 388123105 538429863 /nfs/dbraw/zinc/42/98/63/538429863.db2.gz MWGJJGHFOZDCHQ-UHFFFAOYSA-N 1 2 156.204 2.023 20 0 AEADLO FCCCCCOCc1[nH]cc[nH+]1 388281946 538431183 /nfs/dbraw/zinc/43/11/83/538431183.db2.gz MYETYYZRHWDESU-UHFFFAOYSA-N 1 2 186.230 2.066 20 0 AEADLO C[N@H+](CC(F)F)CC1(C)CCC1 388415618 538432240 /nfs/dbraw/zinc/43/22/40/538432240.db2.gz DYLOEJPCYKSBLX-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO C[N@@H+](CC(F)F)CC1(C)CCC1 388415618 538432242 /nfs/dbraw/zinc/43/22/42/538432242.db2.gz DYLOEJPCYKSBLX-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO FCCCC[N@@H+]1CCC(F)(F)C1 388409772 538432354 /nfs/dbraw/zinc/43/23/54/538432354.db2.gz WUVNNSWZDRMLQT-UHFFFAOYSA-N 1 2 181.201 2.077 20 0 AEADLO FCCCC[N@H+]1CCC(F)(F)C1 388409772 538432356 /nfs/dbraw/zinc/43/23/56/538432356.db2.gz WUVNNSWZDRMLQT-UHFFFAOYSA-N 1 2 181.201 2.077 20 0 AEADLO CN(CCC1CC1)c1cccc[nH+]1 388616353 538434480 /nfs/dbraw/zinc/43/44/80/538434480.db2.gz AUOZHEUDNZOSGN-UHFFFAOYSA-N 1 2 176.263 2.318 20 0 AEADLO CCCCN(C)c1cc[nH+]cc1F 388944668 538438931 /nfs/dbraw/zinc/43/89/31/538438931.db2.gz YHGHARSCJYOUFO-UHFFFAOYSA-N 1 2 182.242 2.457 20 0 AEADLO Cc1cc2[nH]c[nH+]c2cc1F 142239771 541305832 /nfs/dbraw/zinc/30/58/32/541305832.db2.gz JFONHTQRVUGNKX-UHFFFAOYSA-N 1 2 150.156 2.010 20 0 AEADLO CCC[C@@H]1C[C@H]1Nc1cc[nH+]c(C)n1 231662688 541322081 /nfs/dbraw/zinc/32/20/81/541322081.db2.gz OQPCVOGCAJMCLD-NXEZZACHSA-N 1 2 191.278 2.386 20 0 AEADLO FC(F)C[N@@H+]1CCC2(CCC2)C1 306484069 541329118 /nfs/dbraw/zinc/32/91/18/541329118.db2.gz NABCTPYVDSKQDN-UHFFFAOYSA-N 1 2 175.222 2.128 20 0 AEADLO FC(F)C[N@H+]1CCC2(CCC2)C1 306484069 541329122 /nfs/dbraw/zinc/32/91/22/541329122.db2.gz NABCTPYVDSKQDN-UHFFFAOYSA-N 1 2 175.222 2.128 20 0 AEADLO CC(C)=CC[NH2+][C@H](C)c1cn[nH]c1C 381563550 541339996 /nfs/dbraw/zinc/33/99/96/541339996.db2.gz YBKABGNKXGKZBC-SECBINFHSA-N 1 2 193.294 2.335 20 0 AEADLO CC(C)=CC[NH2+][C@@H](C)c1cn[nH]c1C 381563570 541340279 /nfs/dbraw/zinc/34/02/79/541340279.db2.gz YBKABGNKXGKZBC-VIFPVBQESA-N 1 2 193.294 2.335 20 0 AEADLO C[C@H]([NH2+]CC(C)(F)F)C1(Cl)CC1 695713683 757411001 /nfs/dbraw/zinc/41/10/01/757411001.db2.gz MSAPGYKKUFYTLB-LURJTMIESA-N 1 2 197.656 2.391 20 0 AEADLO C[C@@H]([NH2+]CC(C)(F)F)C1(Cl)CC1 695713684 757412544 /nfs/dbraw/zinc/41/25/44/757412544.db2.gz MSAPGYKKUFYTLB-ZCFIWIBFSA-N 1 2 197.656 2.391 20 0 AEADLO COc1ccc[nH+]c1N[C@H]1C=CCC1 698188747 757443638 /nfs/dbraw/zinc/44/36/38/757443638.db2.gz FGZYGOJYWQAJAZ-VIFPVBQESA-N 1 2 190.246 2.221 20 0 AEADLO COc1ccc[nH+]c1N[C@@H]1C=CCC1 698188746 757447172 /nfs/dbraw/zinc/44/71/72/757447172.db2.gz FGZYGOJYWQAJAZ-SECBINFHSA-N 1 2 190.246 2.221 20 0 AEADLO C[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 699691385 757469133 /nfs/dbraw/zinc/46/91/33/757469133.db2.gz CLDQMUCYPVUOLT-BDAKNGLRSA-N 1 2 194.253 2.243 20 0 AEADLO C[C@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 699691391 757469770 /nfs/dbraw/zinc/46/97/70/757469770.db2.gz CLDQMUCYPVUOLT-IUCAKERBSA-N 1 2 194.253 2.243 20 0 AEADLO C[C@H]1CC[C@@H](Nc2cc[nH+]cc2F)C1 699691388 757470294 /nfs/dbraw/zinc/47/02/94/757470294.db2.gz CLDQMUCYPVUOLT-DTWKUNHWSA-N 1 2 194.253 2.243 20 0 AEADLO Fc1c[nH+]ccc1NCCC1CCC1 699692926 757474444 /nfs/dbraw/zinc/47/44/44/757474444.db2.gz IEZKEPFIZMDYPS-UHFFFAOYSA-N 1 2 194.253 2.245 20 0 AEADLO C[C@@H]1CC[C@@H](Nc2cc[nH+]cc2F)C1 699691394 757475184 /nfs/dbraw/zinc/47/51/84/757475184.db2.gz CLDQMUCYPVUOLT-RKDXNWHRSA-N 1 2 194.253 2.243 20 0 AEADLO CC(C)c1ocnc1C[N@H+](C)C1CC1 1116457685 757606999 /nfs/dbraw/zinc/60/69/99/757606999.db2.gz HOHZUEQMIVEMTI-UHFFFAOYSA-N 1 2 194.278 2.392 20 0 AEADLO CC(C)c1ocnc1C[N@@H+](C)C1CC1 1116457685 757607015 /nfs/dbraw/zinc/60/70/15/757607015.db2.gz HOHZUEQMIVEMTI-UHFFFAOYSA-N 1 2 194.278 2.392 20 0 AEADLO C[C@@H]([C@@H](C)O)n1c[nH+]c(C(C)(C)C)c1 1119002281 757729077 /nfs/dbraw/zinc/72/90/77/757729077.db2.gz KIGPUOAEHMMEPQ-DTWKUNHWSA-N 1 2 196.294 2.122 20 0 AEADLO C[C@H](O)[C@H](C)n1c[nH+]c(C(C)(C)C)c1 1119002282 757731291 /nfs/dbraw/zinc/73/12/91/757731291.db2.gz KIGPUOAEHMMEPQ-IUCAKERBSA-N 1 2 196.294 2.122 20 0 AEADLO C[C@H](O)[C@@H](C)n1c[nH+]c(C(C)(C)C)c1 1119002280 757732999 /nfs/dbraw/zinc/73/29/99/757732999.db2.gz KIGPUOAEHMMEPQ-BDAKNGLRSA-N 1 2 196.294 2.122 20 0 AEADLO C[C@@H](O)[C@@H](C)n1c[nH+]c(C(C)(C)C)c1 1119002283 757736174 /nfs/dbraw/zinc/73/61/74/757736174.db2.gz KIGPUOAEHMMEPQ-RKDXNWHRSA-N 1 2 196.294 2.122 20 0 AEADLO CC(C)(C)c1cn(CCF)c[nH+]1 1118986565 757736420 /nfs/dbraw/zinc/73/64/20/757736420.db2.gz KOMDODNQTGAFGK-UHFFFAOYSA-N 1 2 170.231 2.150 20 0 AEADLO CCCCc1[nH+]cccc1N 113992115 573050177 /nfs/dbraw/zinc/05/01/77/573050177.db2.gz NRUVEKXONKLVQJ-UHFFFAOYSA-N 1 2 150.225 2.006 20 0 AEADLO CNc1cc(C)[nH+]c(C2CCC2)n1 83136172 573416211 /nfs/dbraw/zinc/41/62/11/573416211.db2.gz PGGTYBNVLZQPKH-UHFFFAOYSA-N 1 2 177.251 2.094 20 0 AEADLO Cc1ccc([C@@H]2CCC[C@H]2O)c[nH+]1 62950549 572521443 /nfs/dbraw/zinc/52/14/43/572521443.db2.gz ZAWONVYGXKATRK-WDEREUQCSA-N 1 2 177.247 2.018 20 0 AEADLO Cc1cc[nH+]cc1[C@@H]1CCC[C@H]1O 85442144 573030136 /nfs/dbraw/zinc/03/01/36/573030136.db2.gz STWHNGHOKLBOMJ-GXSJLCMTSA-N 1 2 177.247 2.018 20 0 AEADLO Cc1cc[nH+]cc1[C@@H]1CCC[C@@H]1O 85442140 573030341 /nfs/dbraw/zinc/03/03/41/573030341.db2.gz STWHNGHOKLBOMJ-ONGXEEELSA-N 1 2 177.247 2.018 20 0 AEADLO COc1cc([NH2+]CC2CC2)ccc1N 82523417 573088204 /nfs/dbraw/zinc/08/82/04/573088204.db2.gz KFUXAHOPTGJYTO-UHFFFAOYSA-N 1 2 192.262 2.099 20 0 AEADLO CCNc1cc(C)[nH+]c(C2CCC2)n1 83136173 573417667 /nfs/dbraw/zinc/41/76/67/573417667.db2.gz QHMSSCZHCFMKQP-UHFFFAOYSA-N 1 2 191.278 2.484 20 0 AEADLO FCC[NH2+]Cc1c(F)cccc1F 393555450 573719420 /nfs/dbraw/zinc/71/94/20/573719420.db2.gz QCEMIGBXOUPLPK-UHFFFAOYSA-N 1 2 189.180 2.024 20 0 AEADLO FCCCCC[N@@H+]1CCC(F)(F)C1 393558153 573730910 /nfs/dbraw/zinc/73/09/10/573730910.db2.gz YKXFUIGTZDWFHB-UHFFFAOYSA-N 1 2 195.228 2.467 20 0 AEADLO FCCCCC[N@H+]1CCC(F)(F)C1 393558153 573730913 /nfs/dbraw/zinc/73/09/13/573730913.db2.gz YKXFUIGTZDWFHB-UHFFFAOYSA-N 1 2 195.228 2.467 20 0 AEADLO CCSCc1cc[nH+]c(N(C)C)c1 308442884 573800033 /nfs/dbraw/zinc/80/00/33/573800033.db2.gz ZPSRHKBTRRRMKB-UHFFFAOYSA-N 1 2 196.319 2.401 20 0 AEADLO C/C=C/C(=O)Nc1ccc(C)[nH+]c1C 87263390 573858383 /nfs/dbraw/zinc/85/83/83/573858383.db2.gz DNRACJNRNVYLJL-SNAWJCMRSA-N 1 2 190.246 2.213 20 0 AEADLO Cc1ccc([N@H+](C)CCCO)c(C)c1 48346142 574005276 /nfs/dbraw/zinc/00/52/76/574005276.db2.gz VYPIHMMRIOWOOZ-UHFFFAOYSA-N 1 2 193.290 2.122 20 0 AEADLO Cc1ccc([N@@H+](C)CCCO)c(C)c1 48346142 574005283 /nfs/dbraw/zinc/00/52/83/574005283.db2.gz VYPIHMMRIOWOOZ-UHFFFAOYSA-N 1 2 193.290 2.122 20 0 AEADLO CCC(CC)Nc1cc(NC)nc[nH+]1 87807254 574036641 /nfs/dbraw/zinc/03/66/41/574036641.db2.gz KQOMPRHULHRDDC-UHFFFAOYSA-N 1 2 194.282 2.119 20 0 AEADLO CCC[C@H](C)Nc1cc(NC)nc[nH+]1 87807684 574041584 /nfs/dbraw/zinc/04/15/84/574041584.db2.gz KBQAHSWMYUUZPA-QMMMGPOBSA-N 1 2 194.282 2.119 20 0 AEADLO Cc1ccc(Cn2cc[nH+]c2)cc1F 1191673504 761607335 /nfs/dbraw/zinc/60/73/35/761607335.db2.gz YHGSTUKZCKYVMS-UHFFFAOYSA-N 1 2 190.221 2.379 20 0 AEADLO Cc1cc(C[N@@H+](C)CC(C)(C)C)n[nH]1 1203076983 761834386 /nfs/dbraw/zinc/83/43/86/761834386.db2.gz MRDIJVSHIFYCIU-UHFFFAOYSA-N 1 2 195.310 2.196 20 0 AEADLO Cc1cc(C[N@H+](C)CC(C)(C)C)n[nH]1 1203076983 761834387 /nfs/dbraw/zinc/83/43/87/761834387.db2.gz MRDIJVSHIFYCIU-UHFFFAOYSA-N 1 2 195.310 2.196 20 0 AEADLO CC1(C)C[NH+](Cc2ncccc2F)C1 1207027110 762129966 /nfs/dbraw/zinc/12/99/66/762129966.db2.gz VLWYNECULMFPRY-UHFFFAOYSA-N 1 2 194.253 2.063 20 0 AEADLO Cc1ccc(CNc2cccc[nH+]2)cn1 58002784 673967184 /nfs/dbraw/zinc/96/71/84/673967184.db2.gz UQRWKVXTYDYLAJ-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO FC1(F)CCN(c2cccc[nH+]2)CC1 226232337 673968091 /nfs/dbraw/zinc/96/80/91/673968091.db2.gz GILDLGCWJJAODW-UHFFFAOYSA-N 1 2 198.216 2.317 20 0 AEADLO CCC[C@H](C)[N@H+](C)Cc1nncs1 929251385 673976802 /nfs/dbraw/zinc/97/68/02/673976802.db2.gz BBTUDQPXPGUFAA-QMMMGPOBSA-N 1 2 199.323 2.159 20 0 AEADLO CCC[C@H](C)[N@@H+](C)Cc1nncs1 929251385 673976803 /nfs/dbraw/zinc/97/68/03/673976803.db2.gz BBTUDQPXPGUFAA-QMMMGPOBSA-N 1 2 199.323 2.159 20 0 AEADLO CCC[C@@H](C)[N@H+](C)Cc1nncs1 929251384 673976810 /nfs/dbraw/zinc/97/68/10/673976810.db2.gz BBTUDQPXPGUFAA-MRVPVSSYSA-N 1 2 199.323 2.159 20 0 AEADLO CCC[C@@H](C)[N@@H+](C)Cc1nncs1 929251384 673976811 /nfs/dbraw/zinc/97/68/11/673976811.db2.gz BBTUDQPXPGUFAA-MRVPVSSYSA-N 1 2 199.323 2.159 20 0 AEADLO CC1(C)CC[C@H]1Nc1cc[nH+]cc1F 711077468 673998837 /nfs/dbraw/zinc/99/88/37/673998837.db2.gz IKXQHTBDALNYPE-SNVBAGLBSA-N 1 2 194.253 2.243 20 0 AEADLO CC1(C)CC[C@@H]1Nc1cc[nH+]cc1F 711077466 673999544 /nfs/dbraw/zinc/99/95/44/673999544.db2.gz IKXQHTBDALNYPE-JTQLQIEISA-N 1 2 194.253 2.243 20 0 AEADLO Fc1c[nH+]ccc1NC[C@@H]1C=CCC1 711669195 674001537 /nfs/dbraw/zinc/00/15/37/674001537.db2.gz QEDBNJDPYUJMJE-SECBINFHSA-N 1 2 192.237 2.021 20 0 AEADLO Fc1c[nH+]ccc1NC[C@H]1C=CCC1 711669197 674001866 /nfs/dbraw/zinc/00/18/66/674001866.db2.gz QEDBNJDPYUJMJE-VIFPVBQESA-N 1 2 192.237 2.021 20 0 AEADLO C1=C[C@H](CNc2cccc[nH+]2)CC1 711776582 674003343 /nfs/dbraw/zinc/00/33/43/674003343.db2.gz HJRJUMSOOXSMLD-JTQLQIEISA-N 1 2 174.247 2.460 20 0 AEADLO C1=C[C@@H](CNc2cccc[nH+]2)CC1 711776583 674003572 /nfs/dbraw/zinc/00/35/72/674003572.db2.gz HJRJUMSOOXSMLD-SNVBAGLBSA-N 1 2 174.247 2.460 20 0 AEADLO Cc1nc(NC[C@@H]2C=CCC2)cc[nH+]1 711779791 674003815 /nfs/dbraw/zinc/00/38/15/674003815.db2.gz WPOQWPRUNZHQQH-SNVBAGLBSA-N 1 2 189.262 2.163 20 0 AEADLO Cc1nc(NC[C@H]2C=CCC2)cc[nH+]1 711779790 674004255 /nfs/dbraw/zinc/00/42/55/674004255.db2.gz WPOQWPRUNZHQQH-JTQLQIEISA-N 1 2 189.262 2.163 20 0 AEADLO COC(C)(C)CCNc1cccc[nH+]1 711894931 674004627 /nfs/dbraw/zinc/00/46/27/674004627.db2.gz SAMQXSXJLGBOGS-UHFFFAOYSA-N 1 2 194.278 2.309 20 0 AEADLO CCc1ccc(N2CCCC2)[nH+]c1 165832605 1169273472 /nfs/dbraw/zinc/27/34/72/1169273472.db2.gz UQOMNEGVFOEXIU-UHFFFAOYSA-N 1 2 176.263 2.244 20 0 AEADLO c1ccc(N[C@H]2CC23CCC3)[nH+]c1 721167186 674076970 /nfs/dbraw/zinc/07/69/70/674076970.db2.gz GMXPHNVWQAXHJF-VIFPVBQESA-N 1 2 174.247 2.436 20 0 AEADLO Cc1nc(N[C@H]2CC23CCC3)cc[nH+]1 721171193 674077016 /nfs/dbraw/zinc/07/70/16/674077016.db2.gz QCTQIKWDMCJMEH-VIFPVBQESA-N 1 2 189.262 2.140 20 0 AEADLO c1ccc(N[C@@H]2CC23CCC3)[nH+]c1 721167184 674077185 /nfs/dbraw/zinc/07/71/85/674077185.db2.gz GMXPHNVWQAXHJF-SECBINFHSA-N 1 2 174.247 2.436 20 0 AEADLO Cc1nc(N[C@@H]2CC23CCC3)cc[nH+]1 721171190 674077324 /nfs/dbraw/zinc/07/73/24/674077324.db2.gz QCTQIKWDMCJMEH-SECBINFHSA-N 1 2 189.262 2.140 20 0 AEADLO Cl/C=C(\Cl)Cn1cc[nH+]c1 211326684 1169327752 /nfs/dbraw/zinc/32/77/52/1169327752.db2.gz VDNDNLKCQSVXEU-UTCJRWHESA-N 1 2 177.034 2.202 20 0 AEADLO COc1cc[nH+]cc1NCC(C)C 212878985 1169333591 /nfs/dbraw/zinc/33/35/91/1169333591.db2.gz KVNAWEZKPAYZQE-UHFFFAOYSA-N 1 2 180.251 2.158 20 0 AEADLO Cc1nc(NC/C=C/C2CC2)cc[nH+]1 307358662 1169517363 /nfs/dbraw/zinc/51/73/63/1169517363.db2.gz ZBNSVRIINSTRNW-NSCUHMNNSA-N 1 2 189.262 2.163 20 0 AEADLO Cc1cc(Cn2cc[nH+]c2)cs1 307396267 1169520656 /nfs/dbraw/zinc/52/06/56/1169520656.db2.gz QPBOCLJRYVWOOZ-UHFFFAOYSA-N 1 2 178.260 2.301 20 0 AEADLO C(=C\C1CC1)\CNc1cccc[nH+]1 393952380 1169648023 /nfs/dbraw/zinc/64/80/23/1169648023.db2.gz ZNHNOYZQTWDINS-ARJAWSKDSA-N 1 2 174.247 2.460 20 0 AEADLO c1cc(-c2cn3c([nH+]2)CCCC3)ccn1 197913215 566276691 /nfs/dbraw/zinc/27/66/91/566276691.db2.gz LNIPBFFFPOBTFR-UHFFFAOYSA-N 1 2 199.257 2.281 20 0 AEADLO Cc1cc(C[N@@H+](C)CCC(C)C)n[nH]1 1319688419 1170202057 /nfs/dbraw/zinc/20/20/57/1170202057.db2.gz HNFNMPQWZINQQJ-UHFFFAOYSA-N 1 2 195.310 2.196 20 0 AEADLO Cc1cc(C[N@H+](C)CCC(C)C)n[nH]1 1319688419 1170202064 /nfs/dbraw/zinc/20/20/64/1170202064.db2.gz HNFNMPQWZINQQJ-UHFFFAOYSA-N 1 2 195.310 2.196 20 0 AEADLO CCC[N@H+](Cc1cc(C)[nH]n1)C1CC1 1319825973 1170203973 /nfs/dbraw/zinc/20/39/73/1170203973.db2.gz HWKWAKJNQJTAAP-UHFFFAOYSA-N 1 2 193.294 2.093 20 0 AEADLO CCC[N@@H+](Cc1cc(C)[nH]n1)C1CC1 1319825973 1170203978 /nfs/dbraw/zinc/20/39/78/1170203978.db2.gz HWKWAKJNQJTAAP-UHFFFAOYSA-N 1 2 193.294 2.093 20 0 AEADLO CCC[C@H](C)c1nnc(C[NH+](C)C)o1 1322339782 1170215798 /nfs/dbraw/zinc/21/57/98/1170215798.db2.gz MQTYWVOABZYZMA-QMMMGPOBSA-N 1 2 197.282 2.035 20 0 AEADLO CCC(CC)c1nnc(C[NH+](C)C)o1 1322400960 1170216807 /nfs/dbraw/zinc/21/68/07/1170216807.db2.gz YWBDMKHLABNFGJ-UHFFFAOYSA-N 1 2 197.282 2.035 20 0 AEADLO CCC[C@@H](C)c1nnc(C[NH+](C)C)o1 1322339779 1170217989 /nfs/dbraw/zinc/21/79/89/1170217989.db2.gz MQTYWVOABZYZMA-MRVPVSSYSA-N 1 2 197.282 2.035 20 0 AEADLO CC[N@H+](Cc1csnn1)C(C)(C)C 1327951472 1170258487 /nfs/dbraw/zinc/25/84/87/1170258487.db2.gz ISISKIURXYJJNC-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[N@@H+](Cc1csnn1)C(C)(C)C 1327951472 1170258493 /nfs/dbraw/zinc/25/84/93/1170258493.db2.gz ISISKIURXYJJNC-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[N@H+](Cc1cnsn1)C(C)(C)C 1332854176 1170312828 /nfs/dbraw/zinc/31/28/28/1170312828.db2.gz WSLVCGMJPZNMSM-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[N@@H+](Cc1cnsn1)C(C)(C)C 1332854176 1170312833 /nfs/dbraw/zinc/31/28/33/1170312833.db2.gz WSLVCGMJPZNMSM-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO Cc1cc(C[N@@H+](C(C)C)C2CC2)n[nH]1 1337010320 1170386398 /nfs/dbraw/zinc/38/63/98/1170386398.db2.gz QTMVXZHRAPBKSR-UHFFFAOYSA-N 1 2 193.294 2.091 20 0 AEADLO Cc1cc(C[N@H+](C(C)C)C2CC2)n[nH]1 1337010320 1170386402 /nfs/dbraw/zinc/38/64/02/1170386402.db2.gz QTMVXZHRAPBKSR-UHFFFAOYSA-N 1 2 193.294 2.091 20 0 AEADLO CCc1ccc(N2C[C@H]3C[C@H]3C2)[nH+]c1 1339815818 1170422877 /nfs/dbraw/zinc/42/28/77/1170422877.db2.gz YMKCCBJNLWGAKG-PHIMTYICSA-N 1 2 188.274 2.100 20 0 AEADLO CC(C)c1ocnc1Cn1cc[nH+]c1 1341646471 1170440335 /nfs/dbraw/zinc/44/03/35/1170440335.db2.gz YWVGMZOZDMULAR-UHFFFAOYSA-N 1 2 191.234 2.043 20 0 AEADLO C[C@H](C1CC1)N(C)c1cc[nH+]cc1F 1347892622 1170497977 /nfs/dbraw/zinc/49/79/77/1170497977.db2.gz IUGTXPYPYMFQGK-MRVPVSSYSA-N 1 2 194.253 2.455 20 0 AEADLO C[C@@H](C1CC1)N(C)c1cc[nH+]cc1F 1347892624 1170498098 /nfs/dbraw/zinc/49/80/98/1170498098.db2.gz IUGTXPYPYMFQGK-QMMMGPOBSA-N 1 2 194.253 2.455 20 0 AEADLO CCc1ccc(N2CC=CCC2)[nH+]c1 1348074340 1170499979 /nfs/dbraw/zinc/49/99/79/1170499979.db2.gz UXVNTHBMMAQXAE-UHFFFAOYSA-N 1 2 188.274 2.410 20 0 AEADLO CC(C)CCCCN1CCCC[NH2+]1 1575569906 1170687125 /nfs/dbraw/zinc/68/71/25/1170687125.db2.gz BNGCPRNNFAUDLJ-UHFFFAOYSA-N 1 2 184.327 2.413 20 0 AEADLO CCc1cn(C[C@@H]2C[C@H]2CC)c[nH+]1 1652208026 1170897471 /nfs/dbraw/zinc/89/74/71/1170897471.db2.gz NNOJYTFXWXOGID-ZJUUUORDSA-N 1 2 178.279 2.492 20 0 AEADLO Cc1nc2[nH]ccc2c(NC(C)C)[nH+]1 27987506 571837136 /nfs/dbraw/zinc/83/71/36/571837136.db2.gz OTMTWJAHCPTHLX-UHFFFAOYSA-N 1 2 190.250 2.087 20 0 AEADLO C[C@H]1CCn2c([nH+]c3ccccc32)N1 235602951 572041643 /nfs/dbraw/zinc/04/16/43/572041643.db2.gz PCBFMCUXEZQVHR-QMMMGPOBSA-N 1 2 187.246 2.240 20 0 AEADLO C[C@H]1CCNc2[nH+]c3ccccc3n21 235618186 572077803 /nfs/dbraw/zinc/07/78/03/572077803.db2.gz DTCBZOGZQRDAGB-QMMMGPOBSA-N 1 2 187.246 2.413 20 0 AEADLO Fc1ccc(C[NH2+]CC(F)F)cc1 37755782 572191309 /nfs/dbraw/zinc/19/13/09/572191309.db2.gz ATHCUQGMBIPDJY-UHFFFAOYSA-N 1 2 189.180 2.180 20 0 AEADLO CC[N@H+](CC(F)F)CC1(C)CC1 393350803 572199747 /nfs/dbraw/zinc/19/97/47/572199747.db2.gz YAICWRPTWIJFRX-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO CC[N@@H+](CC(F)F)CC1(C)CC1 393350803 572199749 /nfs/dbraw/zinc/19/97/49/572199749.db2.gz 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/nfs/dbraw/zinc/66/50/72/572665072.db2.gz ISUMOTWJMGYBKU-VIFPVBQESA-N 1 2 187.246 2.075 20 0 AEADLO Cc1ccc(C)c(-n2cc[nH+]c2)c1 83348271 572669376 /nfs/dbraw/zinc/66/93/76/572669376.db2.gz YTNQMVWJYMRTGH-UHFFFAOYSA-N 1 2 172.231 2.489 20 0 AEADLO C=C/C=C\CCNc1cc[nH+]c(C)n1 713487471 572747802 /nfs/dbraw/zinc/74/78/02/572747802.db2.gz MILZGTQFYAXOGU-PLNGDYQASA-N 1 2 189.262 2.329 20 0 AEADLO C=C/C=C/CCNc1cc[nH+]c(C)n1 713487757 572747949 /nfs/dbraw/zinc/74/79/49/572747949.db2.gz MILZGTQFYAXOGU-SNAWJCMRSA-N 1 2 189.262 2.329 20 0 AEADLO C=C/C=C\CCNc1cc(C)[nH+]cn1 713489040 572751309 /nfs/dbraw/zinc/75/13/09/572751309.db2.gz ZERYMMPCKXYIRL-PLNGDYQASA-N 1 2 189.262 2.329 20 0 AEADLO C=C/C=C/CCNc1cc(C)[nH+]cn1 713489042 572751865 /nfs/dbraw/zinc/75/18/65/572751865.db2.gz ZERYMMPCKXYIRL-SNAWJCMRSA-N 1 2 189.262 2.329 20 0 AEADLO C[C@@H]1CCNc2[nH+]c3ccccc3n21 235335835 572753722 /nfs/dbraw/zinc/75/37/22/572753722.db2.gz DTCBZOGZQRDAGB-MRVPVSSYSA-N 1 2 187.246 2.413 20 0 AEADLO CCc1c(N)nc(C(C)(C)C)[nH+]c1C 50845381 572934312 /nfs/dbraw/zinc/93/43/12/572934312.db2.gz HRPHUUXDBUUAAV-UHFFFAOYSA-N 1 2 193.294 2.227 20 0 AEADLO Cc1[nH+]c(C2CCCC2)nc(N)c1C 50847208 572934703 /nfs/dbraw/zinc/93/47/03/572934703.db2.gz ZLMGKIGJCGCXEP-UHFFFAOYSA-N 1 2 191.278 2.333 20 0 AEADLO Cc1cc[nH+]cc1[C@H]1CCC[C@@H]1O 85442142 573033103 /nfs/dbraw/zinc/03/31/03/573033103.db2.gz STWHNGHOKLBOMJ-KOLCDFICSA-N 1 2 177.247 2.018 20 0 AEADLO Cc1cc[nH+]cc1[C@H]1CCC[C@H]1O 85442145 573033365 /nfs/dbraw/zinc/03/33/65/573033365.db2.gz STWHNGHOKLBOMJ-MWLCHTKSSA-N 1 2 177.247 2.018 20 0 AEADLO COc1cc([NH2+]CC(C)C)ccc1N 82523399 573087595 /nfs/dbraw/zinc/08/75/95/573087595.db2.gz LUYIRIIVCWQNKX-UHFFFAOYSA-N 1 2 194.278 2.345 20 0 AEADLO Cc1[nH+]c(CC(C)(C)C)nc(N)c1C 82674871 573150618 /nfs/dbraw/zinc/15/06/18/573150618.db2.gz MNLAPLDQJPILQO-UHFFFAOYSA-N 1 2 193.294 2.264 20 0 AEADLO c1ccc(NCCOC2CCC2)[nH+]c1 308511633 573169033 /nfs/dbraw/zinc/16/90/33/573169033.db2.gz LEVOEYBWLYSSHX-UHFFFAOYSA-N 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FC(F)(F)C[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306636773 487162816 /nfs/dbraw/zinc/16/28/16/487162816.db2.gz BDKSNPMOSAYICS-CSMHCCOUSA-N 1 2 193.212 2.327 20 0 AEADLO FC(F)(F)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 306636782 487163044 /nfs/dbraw/zinc/16/30/44/487163044.db2.gz BDKSNPMOSAYICS-GJMOJQLCSA-N 1 2 193.212 2.327 20 0 AEADLO C[C@@H](CC(C)(C)O)Nc1cccc[nH+]1 306660799 487163978 /nfs/dbraw/zinc/16/39/78/487163978.db2.gz NHIGRTMEDIZMMF-VIFPVBQESA-N 1 2 194.278 2.043 20 0 AEADLO C[C@H](CC(C)(C)O)Nc1cccc[nH+]1 306660798 487164036 /nfs/dbraw/zinc/16/40/36/487164036.db2.gz NHIGRTMEDIZMMF-SECBINFHSA-N 1 2 194.278 2.043 20 0 AEADLO Cc1sccc1C[NH2+]CC(F)F 308042012 487193565 /nfs/dbraw/zinc/19/35/65/487193565.db2.gz NVRIGIMRWFBLHD-UHFFFAOYSA-N 1 2 191.246 2.411 20 0 AEADLO CC[C@](C)(CNc1cccc[nH+]1)OC 322876926 487223808 /nfs/dbraw/zinc/22/38/08/487223808.db2.gz SNWIITIDKVFTEG-LLVKDONJSA-N 1 2 194.278 2.309 20 0 AEADLO CC[C@@](C)(CNc1cccc[nH+]1)OC 322876927 487223863 /nfs/dbraw/zinc/22/38/63/487223863.db2.gz SNWIITIDKVFTEG-NSHDSACASA-N 1 2 194.278 2.309 20 0 AEADLO CC(C)=CC[NH2+][C@H](C)c1csnn1 398271655 487283901 /nfs/dbraw/zinc/28/39/01/487283901.db2.gz BKCZOTUJCMCTMI-MRVPVSSYSA-N 1 2 197.307 2.155 20 0 AEADLO CC(C)=CC[NH2+][C@@H](C)c1csnn1 398271656 487284360 /nfs/dbraw/zinc/28/43/60/487284360.db2.gz BKCZOTUJCMCTMI-QMMMGPOBSA-N 1 2 197.307 2.155 20 0 AEADLO Cc1cc(NCC2CC=CC2)nc[nH+]1 528115610 487293710 /nfs/dbraw/zinc/29/37/10/487293710.db2.gz RUWMQPHXRLKFQX-UHFFFAOYSA-N 1 2 189.262 2.163 20 0 AEADLO Cc1nc(NCC2CC=CC2)cc[nH+]1 528116018 487293733 /nfs/dbraw/zinc/29/37/33/487293733.db2.gz RVWZYJYZGSFMKU-UHFFFAOYSA-N 1 2 189.262 2.163 20 0 AEADLO Cc1cc(SC(C)C)c[nH+]c1N 584883467 487296853 /nfs/dbraw/zinc/29/68/53/487296853.db2.gz OZGORJGZXNOUTE-UHFFFAOYSA-N 1 2 182.292 2.473 20 0 AEADLO Cc1cc(SC2CC2)c[nH+]c1N 584883100 487296883 /nfs/dbraw/zinc/29/68/83/487296883.db2.gz GWUDZAMKPUMURC-UHFFFAOYSA-N 1 2 180.276 2.227 20 0 AEADLO Cn1c[nH+]c(CSC2CCC2)c1 603336621 487301805 /nfs/dbraw/zinc/30/18/05/487301805.db2.gz RIDMYHMLPFLSJE-UHFFFAOYSA-N 1 2 182.292 2.206 20 0 AEADLO Fc1c[nH+]ccc1N[C@@H]1CC=CCC1 606265161 487304117 /nfs/dbraw/zinc/30/41/17/487304117.db2.gz VDZRQAGJDVMTRV-SECBINFHSA-N 1 2 192.237 2.163 20 0 AEADLO Cc1nc(NCC2CC(C)C2)cc[nH+]1 606264811 487304126 /nfs/dbraw/zinc/30/41/26/487304126.db2.gz MQAFCELWIWXBKH-UHFFFAOYSA-N 1 2 191.278 2.243 20 0 AEADLO Cc1nc(NC2(C)CC=CC2)cc[nH+]1 606262356 487304152 /nfs/dbraw/zinc/30/41/52/487304152.db2.gz BWNATANTLMZCEH-UHFFFAOYSA-N 1 2 189.262 2.306 20 0 AEADLO Fc1c[nH+]ccc1N[C@H]1CC=CCC1 606265162 487304249 /nfs/dbraw/zinc/30/42/49/487304249.db2.gz VDZRQAGJDVMTRV-VIFPVBQESA-N 1 2 192.237 2.163 20 0 AEADLO Cc1cc(NCC2=CCCC2)nc[nH+]1 606262381 487304308 /nfs/dbraw/zinc/30/43/08/487304308.db2.gz HOKMGTQJIJYPTL-UHFFFAOYSA-N 1 2 189.262 2.307 20 0 AEADLO Cc1cc(NC2(C)CC=CC2)nc[nH+]1 606262388 487304339 /nfs/dbraw/zinc/30/43/39/487304339.db2.gz IXVAHNSXZBWFIW-UHFFFAOYSA-N 1 2 189.262 2.306 20 0 AEADLO Cc1nc(NCC2=CCCC2)cc[nH+]1 606262471 487304386 /nfs/dbraw/zinc/30/43/86/487304386.db2.gz WMIVALUAPSMRSB-UHFFFAOYSA-N 1 2 189.262 2.307 20 0 AEADLO Cc1cc(NCC2CC(C)C2)nc[nH+]1 606264972 487304446 /nfs/dbraw/zinc/30/44/46/487304446.db2.gz XUPAGRKPRGLLRM-UHFFFAOYSA-N 1 2 191.278 2.243 20 0 AEADLO Fc1c[nH+]ccc1NC1CCCCC1 606268826 487305051 /nfs/dbraw/zinc/30/50/51/487305051.db2.gz JYIMRZWKARBPLE-UHFFFAOYSA-N 1 2 194.253 2.387 20 0 AEADLO Cc1nc(N[C@@H]2C[C@H]2C(C)C)cc[nH+]1 665737149 487314061 /nfs/dbraw/zinc/31/40/61/487314061.db2.gz CQPNPRFASFZIJZ-VHSXEESVSA-N 1 2 191.278 2.241 20 0 AEADLO Cc1cc(N[C@@H]2C[C@H]2C(C)C)nc[nH+]1 665737159 487314160 /nfs/dbraw/zinc/31/41/60/487314160.db2.gz FNPYNKWSBOHJDU-VHSXEESVSA-N 1 2 191.278 2.241 20 0 AEADLO CCO[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 665730703 487314309 /nfs/dbraw/zinc/31/43/09/487314309.db2.gz MGXCJRFBZGQFEW-AOOOYVTPSA-N 1 2 192.262 2.061 20 0 AEADLO COCC[C@@H](C)CNc1cccc[nH+]1 665744074 487314982 /nfs/dbraw/zinc/31/49/82/487314982.db2.gz ZPUNMXLQSNEGSF-SNVBAGLBSA-N 1 2 194.278 2.166 20 0 AEADLO COCC[C@H](C)CNc1cccc[nH+]1 665744073 487315098 /nfs/dbraw/zinc/31/50/98/487315098.db2.gz ZPUNMXLQSNEGSF-JTQLQIEISA-N 1 2 194.278 2.166 20 0 AEADLO Cc1occc1C[NH2+]CC(C)(F)F 666383149 487327883 /nfs/dbraw/zinc/32/78/83/487327883.db2.gz KRAUDRGXRBMSNF-UHFFFAOYSA-N 1 2 189.205 2.333 20 0 AEADLO C[N@H+](CCCCCF)CC(F)F 393354333 582463778 /nfs/dbraw/zinc/46/37/78/582463778.db2.gz ITQAHSLVESFOID-UHFFFAOYSA-N 1 2 183.217 2.323 20 0 AEADLO C[N@@H+](CCCCCF)CC(F)F 393354333 582463779 /nfs/dbraw/zinc/46/37/79/582463779.db2.gz ITQAHSLVESFOID-UHFFFAOYSA-N 1 2 183.217 2.323 20 0 AEADLO C[C@H](c1ccccc1)n1c[nH+]c(N)c1 238430451 582477610 /nfs/dbraw/zinc/47/76/10/582477610.db2.gz ISUMOTWJMGYBKU-SECBINFHSA-N 1 2 187.246 2.075 20 0 AEADLO CCc1cc(NC2CC2)nc(CC)[nH+]1 891421663 582477886 /nfs/dbraw/zinc/47/78/86/582477886.db2.gz IAJDLDCIHZBTID-UHFFFAOYSA-N 1 2 191.278 2.176 20 0 AEADLO CCC1(CC)C[NH+](Cc2cnc[nH]2)C1 894969038 582521892 /nfs/dbraw/zinc/52/18/92/582521892.db2.gz CVGBHEBNLWOIFS-UHFFFAOYSA-N 1 2 193.294 2.032 20 0 AEADLO CCC[C@@H](O)CCNc1cccc[nH+]1 896191652 582532475 /nfs/dbraw/zinc/53/24/75/582532475.db2.gz PLGNMOUOMKLLMZ-SNVBAGLBSA-N 1 2 194.278 2.045 20 0 AEADLO CCC[C@H](O)CCNc1cccc[nH+]1 896191650 582532619 /nfs/dbraw/zinc/53/26/19/582532619.db2.gz PLGNMOUOMKLLMZ-JTQLQIEISA-N 1 2 194.278 2.045 20 0 AEADLO COc1ccc([NH2+]CC(C)C)cc1N 841040099 582551906 /nfs/dbraw/zinc/55/19/06/582551906.db2.gz IIGCDRRALVUMFN-UHFFFAOYSA-N 1 2 194.278 2.345 20 0 AEADLO F[C@H]1CCC[N@H+](C/C=C\Cl)C1 902998902 582620956 /nfs/dbraw/zinc/62/09/56/582620956.db2.gz RPUHMNJERPZEIK-LTMVXPGCSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@H]1CCC[N@@H+](C/C=C\Cl)C1 902998902 582620957 /nfs/dbraw/zinc/62/09/57/582620957.db2.gz RPUHMNJERPZEIK-LTMVXPGCSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@@H]1CCC[N@H+](C/C=C/Cl)C1 902998899 582621265 /nfs/dbraw/zinc/62/12/65/582621265.db2.gz RPUHMNJERPZEIK-BYDTYLDUSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 902998899 582621271 /nfs/dbraw/zinc/62/12/71/582621271.db2.gz RPUHMNJERPZEIK-BYDTYLDUSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@H]1CCC[N@H+](C/C=C/Cl)C1 902998901 582621487 /nfs/dbraw/zinc/62/14/87/582621487.db2.gz RPUHMNJERPZEIK-KHVHVRLGSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@H]1CCC[N@@H+](C/C=C/Cl)C1 902998901 582621490 /nfs/dbraw/zinc/62/14/90/582621490.db2.gz RPUHMNJERPZEIK-KHVHVRLGSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@@H]1CCC[N@H+](C/C=C\Cl)C1 902998900 582621516 /nfs/dbraw/zinc/62/15/16/582621516.db2.gz RPUHMNJERPZEIK-DLRBJTRDSA-N 1 2 177.650 2.173 20 0 AEADLO F[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 902998900 582621517 /nfs/dbraw/zinc/62/15/17/582621517.db2.gz RPUHMNJERPZEIK-DLRBJTRDSA-N 1 2 177.650 2.173 20 0 AEADLO Cc1[nH]ncc1[C@H](C)[NH2+]C/C=C\Cl 903443180 582624417 /nfs/dbraw/zinc/62/44/17/582624417.db2.gz CUQVKFAXHZKKBR-AVALRIAPSA-N 1 2 199.685 2.121 20 0 AEADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C/C=C\Cl 903443181 582624452 /nfs/dbraw/zinc/62/44/52/582624452.db2.gz CUQVKFAXHZKKBR-KFOINNEUSA-N 1 2 199.685 2.121 20 0 AEADLO Cc1[nH]ncc1[C@H](C)[NH2+]C/C=C/Cl 903443183 582624827 /nfs/dbraw/zinc/62/48/27/582624827.db2.gz CUQVKFAXHZKKBR-SDLBARTOSA-N 1 2 199.685 2.121 20 0 AEADLO C[C@@H]1CCCC[C@H]1CN1CC=CC[NH2+]1 903489124 582625241 /nfs/dbraw/zinc/62/52/41/582625241.db2.gz GHEIKJFSWVLDCZ-NEPJUHHUSA-N 1 2 194.322 2.189 20 0 AEADLO C1=CCN(CCCC2CCCC2)[NH2+]C1 903488526 582625636 /nfs/dbraw/zinc/62/56/36/582625636.db2.gz IJKFCYOELLQTSP-UHFFFAOYSA-N 1 2 194.322 2.333 20 0 AEADLO C[C@H]1CCCC[C@@H]1CN1CC=CC[NH2+]1 903489125 582625761 /nfs/dbraw/zinc/62/57/61/582625761.db2.gz GHEIKJFSWVLDCZ-NWDGAFQWSA-N 1 2 194.322 2.189 20 0 AEADLO C[C@@H]1CCCC[C@@H]1CN1CC=CC[NH2+]1 903489127 582625768 /nfs/dbraw/zinc/62/57/68/582625768.db2.gz GHEIKJFSWVLDCZ-VXGBXAGGSA-N 1 2 194.322 2.189 20 0 AEADLO C[C@H]1CCCC[C@H]1CN1CC=CC[NH2+]1 903489126 582625854 /nfs/dbraw/zinc/62/58/54/582625854.db2.gz GHEIKJFSWVLDCZ-RYUDHWBXSA-N 1 2 194.322 2.189 20 0 AEADLO C1=CCN(CC2CCCCCC2)[NH2+]C1 903489036 582625940 /nfs/dbraw/zinc/62/59/40/582625940.db2.gz CLQRZDNFDLCHSQ-UHFFFAOYSA-N 1 2 194.322 2.333 20 0 AEADLO CC1(CNc2cc(F)cc[nH+]2)CC1 905419843 582649193 /nfs/dbraw/zinc/64/91/93/582649193.db2.gz BFYQCLFTTRBAHF-UHFFFAOYSA-N 1 2 180.226 2.433 20 0 AEADLO c1cc(-c2[nH+]cn3c2CCCC3)ccn1 906156155 582654202 /nfs/dbraw/zinc/65/42/02/582654202.db2.gz WKXSTRUHSVGCHB-UHFFFAOYSA-N 1 2 199.257 2.281 20 0 AEADLO c1cc(-c2cn3c([nH+]2)CCC3)co1 906163980 582655178 /nfs/dbraw/zinc/65/51/78/582655178.db2.gz IERDSFGIXJZUBD-UHFFFAOYSA-N 1 2 174.203 2.089 20 0 AEADLO c1cncc(-c2[nH+]cn3c2CCCC3)c1 906165567 582655183 /nfs/dbraw/zinc/65/51/83/582655183.db2.gz SAMBHPISUVRAQL-UHFFFAOYSA-N 1 2 199.257 2.281 20 0 AEADLO c1cc(-c2cn3c([nH+]2)CCCC3)co1 906165510 582655251 /nfs/dbraw/zinc/65/52/51/582655251.db2.gz REFXQJJXSKBLHE-UHFFFAOYSA-N 1 2 188.230 2.479 20 0 AEADLO Cc1ccncc1-c1cn2c([nH+]1)CCC2 906186182 582655279 /nfs/dbraw/zinc/65/52/79/582655279.db2.gz UWUZVVDTVBUXHD-UHFFFAOYSA-N 1 2 199.257 2.200 20 0 AEADLO Cc1ccc(-c2cn3c([nH+]2)CCC3)cn1 906167239 582655383 /nfs/dbraw/zinc/65/53/83/582655383.db2.gz FKAMQUPGHVOFIB-UHFFFAOYSA-N 1 2 199.257 2.200 20 0 AEADLO CCCCNc1ccc(N(C)C)c[nH+]1 906529404 582657067 /nfs/dbraw/zinc/65/70/67/582657067.db2.gz OLICCIGWRYOZMS-UHFFFAOYSA-N 1 2 193.294 2.360 20 0 AEADLO CCCCNc1c[nH+]cc(N(C)C)c1 906534480 582657650 /nfs/dbraw/zinc/65/76/50/582657650.db2.gz RFQWEUDPOURLJO-UHFFFAOYSA-N 1 2 193.294 2.360 20 0 AEADLO CCCN(C)c1cc[nH+]c(C(C)C)n1 732003344 582674873 /nfs/dbraw/zinc/67/48/73/582674873.db2.gz WHJDBJYYPSWYCN-UHFFFAOYSA-N 1 2 193.294 2.446 20 0 AEADLO CC[C@@H](COC)Nc1ccc(C)[nH+]c1 164690746 582705047 /nfs/dbraw/zinc/70/50/47/582705047.db2.gz TXQFDUDDMGRNPO-JTQLQIEISA-N 1 2 194.278 2.227 20 0 AEADLO CC[C@H](COC)Nc1ccc(C)[nH+]c1 164690882 582705234 /nfs/dbraw/zinc/70/52/34/582705234.db2.gz TXQFDUDDMGRNPO-SNVBAGLBSA-N 1 2 194.278 2.227 20 0 AEADLO Cc1cc(-c2cccc(N)[nH+]2)ccn1 229579346 582706733 /nfs/dbraw/zinc/70/67/33/582706733.db2.gz NULODHQQAYGXPB-UHFFFAOYSA-N 1 2 185.230 2.034 20 0 AEADLO Fc1cccc(C[NH2+]CC(F)F)c1 37755840 582710657 /nfs/dbraw/zinc/71/06/57/582710657.db2.gz GNHVOAPUPQIIAF-UHFFFAOYSA-N 1 2 189.180 2.180 20 0 AEADLO Cc1cccc(C[NH2+]CC(F)F)c1 37755947 582711358 /nfs/dbraw/zinc/71/13/58/582711358.db2.gz QYDYLTHMGJSLTP-UHFFFAOYSA-N 1 2 185.217 2.350 20 0 AEADLO Cc1ccccc1C[NH2+]CC(F)F 37755946 582711534 /nfs/dbraw/zinc/71/15/34/582711534.db2.gz YOBIHPPSZQCVII-UHFFFAOYSA-N 1 2 185.217 2.350 20 0 AEADLO CCN(CC)c1cc[nH+]c(C(C)C)n1 748267070 582752443 /nfs/dbraw/zinc/75/24/43/582752443.db2.gz MXZPTBYCIDMKHT-UHFFFAOYSA-N 1 2 193.294 2.446 20 0 AEADLO CCCO[NH+]=C(N)c1ccccc1C 754279183 582780978 /nfs/dbraw/zinc/78/09/78/582780978.db2.gz KZCRJHFFFMJGPI-UHFFFAOYSA-N 1 2 192.262 2.252 20 0 AEADLO CC(C)CO[NH+]=C(N)c1ccccc1 754280659 582780464 /nfs/dbraw/zinc/78/04/64/582780464.db2.gz YCBBVTWCUMDVII-UHFFFAOYSA-N 1 2 192.262 2.189 20 0 AEADLO CCCO[NH+]=C(N)c1cccc(F)c1 754280926 582780516 /nfs/dbraw/zinc/78/05/16/582780516.db2.gz OVTVNNAVQJHXFH-UHFFFAOYSA-N 1 2 196.225 2.082 20 0 AEADLO FCC[N@@H+]1CCc2c(F)cccc2C1 757151109 582794585 /nfs/dbraw/zinc/79/45/85/582794585.db2.gz WAZUBLOSLTXRBA-UHFFFAOYSA-N 1 2 197.228 2.153 20 0 AEADLO FCC[N@H+]1CCc2c(F)cccc2C1 757151109 582794587 /nfs/dbraw/zinc/79/45/87/582794587.db2.gz WAZUBLOSLTXRBA-UHFFFAOYSA-N 1 2 197.228 2.153 20 0 AEADLO Cc1cc([C@@H]2CCC[N@@H+]2CCF)no1 759327592 582801679 /nfs/dbraw/zinc/80/16/79/582801679.db2.gz KSKAPFOPCFOQOQ-JTQLQIEISA-N 1 2 198.241 2.089 20 0 AEADLO Cc1cc([C@@H]2CCC[N@H+]2CCF)no1 759327592 582801681 /nfs/dbraw/zinc/80/16/81/582801681.db2.gz KSKAPFOPCFOQOQ-JTQLQIEISA-N 1 2 198.241 2.089 20 0 AEADLO COc1ccccc1C[N@H+](C)CCF 759329227 582801732 /nfs/dbraw/zinc/80/17/32/582801732.db2.gz TXRRNYAKZOVZIL-UHFFFAOYSA-N 1 2 197.253 2.097 20 0 AEADLO COc1ccccc1C[N@@H+](C)CCF 759329227 582801734 /nfs/dbraw/zinc/80/17/34/582801734.db2.gz TXRRNYAKZOVZIL-UHFFFAOYSA-N 1 2 197.253 2.097 20 0 AEADLO Cc1cc([C@H]2CCC[N@@H+]2CCF)no1 759327603 582802442 /nfs/dbraw/zinc/80/24/42/582802442.db2.gz KSKAPFOPCFOQOQ-SNVBAGLBSA-N 1 2 198.241 2.089 20 0 AEADLO Cc1cc([C@H]2CCC[N@H+]2CCF)no1 759327603 582802443 /nfs/dbraw/zinc/80/24/43/582802443.db2.gz KSKAPFOPCFOQOQ-SNVBAGLBSA-N 1 2 198.241 2.089 20 0 AEADLO CC(C)=CC(=O)Nc1cc[nH+]cc1C 300746815 582832180 /nfs/dbraw/zinc/83/21/80/582832180.db2.gz XDNFNAPXZGFCKT-UHFFFAOYSA-N 1 2 190.246 2.295 20 0 AEADLO FCC[N@@H+]1CCc2cc(F)ccc2C1 768826250 582836212 /nfs/dbraw/zinc/83/62/12/582836212.db2.gz PQXKEYMRVBVWRJ-UHFFFAOYSA-N 1 2 197.228 2.153 20 0 AEADLO FCC[N@H+]1CCc2cc(F)ccc2C1 768826250 582836213 /nfs/dbraw/zinc/83/62/13/582836213.db2.gz PQXKEYMRVBVWRJ-UHFFFAOYSA-N 1 2 197.228 2.153 20 0 AEADLO FCC[N@H+](Cc1ccccn1)C1CC1 772284538 582848800 /nfs/dbraw/zinc/84/88/00/582848800.db2.gz JKZZOFDUFRZVSO-UHFFFAOYSA-N 1 2 194.253 2.016 20 0 AEADLO FCC[N@@H+](Cc1ccccn1)C1CC1 772284538 582848804 /nfs/dbraw/zinc/84/88/04/582848804.db2.gz JKZZOFDUFRZVSO-UHFFFAOYSA-N 1 2 194.253 2.016 20 0 AEADLO FCC[N@H+](Cc1cccnc1)C1CC1 772248370 582849261 /nfs/dbraw/zinc/84/92/61/582849261.db2.gz OERFBTLUEOKPOR-UHFFFAOYSA-N 1 2 194.253 2.016 20 0 AEADLO FCC[N@@H+](Cc1cccnc1)C1CC1 772248370 582849262 /nfs/dbraw/zinc/84/92/62/582849262.db2.gz OERFBTLUEOKPOR-UHFFFAOYSA-N 1 2 194.253 2.016 20 0 AEADLO F[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 852112013 583204898 /nfs/dbraw/zinc/20/48/98/583204898.db2.gz NARIZOZADHHFQQ-LURJTMIESA-N 1 2 198.068 2.349 20 0 AEADLO F[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 852112013 583204901 /nfs/dbraw/zinc/20/49/01/583204901.db2.gz NARIZOZADHHFQQ-LURJTMIESA-N 1 2 198.068 2.349 20 0 AEADLO OCCCCCCOc1cc[nH+]cc1 814265525 582977378 /nfs/dbraw/zinc/97/73/78/582977378.db2.gz MEUAXKYXGXVYPF-UHFFFAOYSA-N 1 2 195.262 2.013 20 0 AEADLO C=C=CCNc1cc[nH+]c(C(C)C)n1 820585719 583023723 /nfs/dbraw/zinc/02/37/23/583023723.db2.gz AVLBTQJXMSYMKT-UHFFFAOYSA-N 1 2 189.262 2.353 20 0 AEADLO FCC(CF)[NH2+]Cc1ccsc1 824549092 583044731 /nfs/dbraw/zinc/04/47/31/583044731.db2.gz YGUZYDKVNFGLJL-UHFFFAOYSA-N 1 2 191.246 2.145 20 0 AEADLO Cc1ccccc1C[NH2+]C(CF)CF 824549073 583044790 /nfs/dbraw/zinc/04/47/90/583044790.db2.gz XUEZIDMLHAPZJI-UHFFFAOYSA-N 1 2 199.244 2.392 20 0 AEADLO FCC(CF)[NH2+]Cc1ccccc1 824548701 583045037 /nfs/dbraw/zinc/04/50/37/583045037.db2.gz LWZGUGGNVZXGNN-UHFFFAOYSA-N 1 2 185.217 2.084 20 0 AEADLO Cc1csc(C[NH+]2CC3(CC3)C2)n1 824533477 583045090 /nfs/dbraw/zinc/04/50/90/583045090.db2.gz GCDBLKRINXHNFT-UHFFFAOYSA-N 1 2 194.303 2.047 20 0 AEADLO Cc1cccc(C[NH2+]C(CF)CF)c1 824548882 583045288 /nfs/dbraw/zinc/04/52/88/583045288.db2.gz PBRBLHINOCDOEO-UHFFFAOYSA-N 1 2 199.244 2.392 20 0 AEADLO FCC(CF)[NH2+]Cc1cccs1 824548922 583045293 /nfs/dbraw/zinc/04/52/93/583045293.db2.gz QLAUNYSNARXFGS-UHFFFAOYSA-N 1 2 191.246 2.145 20 0 AEADLO Cc1ccc(C[NH2+]C(CF)CF)cc1 824548498 583045297 /nfs/dbraw/zinc/04/52/97/583045297.db2.gz IIJPAGGNTCDVMQ-UHFFFAOYSA-N 1 2 199.244 2.392 20 0 AEADLO C[N@H+](CC(F)F)CC1CC(F)(F)C1 827678827 583055222 /nfs/dbraw/zinc/05/52/22/583055222.db2.gz HZQKISDXHIPHMJ-UHFFFAOYSA-N 1 2 199.191 2.229 20 0 AEADLO C[N@@H+](CC(F)F)CC1CC(F)(F)C1 827678827 583055224 /nfs/dbraw/zinc/05/52/24/583055224.db2.gz HZQKISDXHIPHMJ-UHFFFAOYSA-N 1 2 199.191 2.229 20 0 AEADLO C[N@H+](C/C=C\Cl)Cc1ccccn1 831024973 583071567 /nfs/dbraw/zinc/07/15/67/583071567.db2.gz UECWNEWBFIQXET-XQRVVYSFSA-N 1 2 196.681 2.266 20 0 AEADLO C[N@@H+](C/C=C\Cl)Cc1ccccn1 831024973 583071570 /nfs/dbraw/zinc/07/15/70/583071570.db2.gz UECWNEWBFIQXET-XQRVVYSFSA-N 1 2 196.681 2.266 20 0 AEADLO C[N@H+](C/C=C/Cl)Cc1ccccn1 831024970 583071914 /nfs/dbraw/zinc/07/19/14/583071914.db2.gz UECWNEWBFIQXET-GQCTYLIASA-N 1 2 196.681 2.266 20 0 AEADLO C[N@@H+](C/C=C/Cl)Cc1ccccn1 831024970 583071916 /nfs/dbraw/zinc/07/19/16/583071916.db2.gz UECWNEWBFIQXET-GQCTYLIASA-N 1 2 196.681 2.266 20 0 AEADLO COc1ccc([NH2+]CC2CC2)cc1N 841039861 583112745 /nfs/dbraw/zinc/11/27/45/583112745.db2.gz DLEYIBZZFHANHJ-UHFFFAOYSA-N 1 2 192.262 2.099 20 0 AEADLO CC1(C)CCC2=C1N1CC[NH+]=C1S2 841492233 583114636 /nfs/dbraw/zinc/11/46/36/583114636.db2.gz PHCBUZWDKUXDPR-UHFFFAOYSA-N 1 2 194.303 2.436 20 0 AEADLO CCCC[N@H+](CC)Cc1cnsn1 846764751 583159693 /nfs/dbraw/zinc/15/96/93/583159693.db2.gz WCZMNJDQRINUPS-UHFFFAOYSA-N 1 2 199.323 2.160 20 0 AEADLO CCCC[N@@H+](CC)Cc1cnsn1 846764751 583159696 /nfs/dbraw/zinc/15/96/96/583159696.db2.gz WCZMNJDQRINUPS-UHFFFAOYSA-N 1 2 199.323 2.160 20 0 AEADLO CC[NH2+]c1ccc2c(c1)C[C@H](C)O2 846746158 583159839 /nfs/dbraw/zinc/15/98/39/583159839.db2.gz RUBUAJDJWVDMJD-QMMMGPOBSA-N 1 2 177.247 2.442 20 0 AEADLO CC[NH2+]c1ccc2c(c1)C[C@@H](C)O2 846746157 583159853 /nfs/dbraw/zinc/15/98/53/583159853.db2.gz RUBUAJDJWVDMJD-MRVPVSSYSA-N 1 2 177.247 2.442 20 0 AEADLO CC(C)[C@H](C)[N@H+](C)Cc1cnsn1 846768383 583159870 /nfs/dbraw/zinc/15/98/70/583159870.db2.gz ZKGYRUYHFFERRJ-QMMMGPOBSA-N 1 2 199.323 2.014 20 0 AEADLO CC(C)[C@H](C)[N@@H+](C)Cc1cnsn1 846768383 583159873 /nfs/dbraw/zinc/15/98/73/583159873.db2.gz ZKGYRUYHFFERRJ-QMMMGPOBSA-N 1 2 199.323 2.014 20 0 AEADLO CC(C)[C@@H](C)[N@H+](C)Cc1cnsn1 846768382 583159962 /nfs/dbraw/zinc/15/99/62/583159962.db2.gz ZKGYRUYHFFERRJ-MRVPVSSYSA-N 1 2 199.323 2.014 20 0 AEADLO CC(C)[C@@H](C)[N@@H+](C)Cc1cnsn1 846768382 583159966 /nfs/dbraw/zinc/15/99/66/583159966.db2.gz ZKGYRUYHFFERRJ-MRVPVSSYSA-N 1 2 199.323 2.014 20 0 AEADLO CCC[NH+](CCC)Cc1cnsn1 846771704 583160181 /nfs/dbraw/zinc/16/01/81/583160181.db2.gz KUNWCYGECAZTKG-UHFFFAOYSA-N 1 2 199.323 2.160 20 0 AEADLO CCC[C@@H](C)[N@H+](C)Cc1cnsn1 846769894 583160216 /nfs/dbraw/zinc/16/02/16/583160216.db2.gz QOGXEHACUONRMI-MRVPVSSYSA-N 1 2 199.323 2.159 20 0 AEADLO CCC[C@@H](C)[N@@H+](C)Cc1cnsn1 846769894 583160217 /nfs/dbraw/zinc/16/02/17/583160217.db2.gz QOGXEHACUONRMI-MRVPVSSYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[C@@H](C)C[N@H+](C)Cc1cnsn1 846801984 583160243 /nfs/dbraw/zinc/16/02/43/583160243.db2.gz FANFFOZRVOBTPU-MRVPVSSYSA-N 1 2 199.323 2.016 20 0 AEADLO CC[C@@H](C)C[N@@H+](C)Cc1cnsn1 846801984 583160248 /nfs/dbraw/zinc/16/02/48/583160248.db2.gz FANFFOZRVOBTPU-MRVPVSSYSA-N 1 2 199.323 2.016 20 0 AEADLO CCC[C@H](C)[N@H+](C)Cc1cnsn1 846769895 583160277 /nfs/dbraw/zinc/16/02/77/583160277.db2.gz QOGXEHACUONRMI-QMMMGPOBSA-N 1 2 199.323 2.159 20 0 AEADLO CCC[C@H](C)[N@@H+](C)Cc1cnsn1 846769895 583160280 /nfs/dbraw/zinc/16/02/80/583160280.db2.gz QOGXEHACUONRMI-QMMMGPOBSA-N 1 2 199.323 2.159 20 0 AEADLO C[N@H+](Cc1cnsn1)CC(C)(C)C 846795195 583160425 /nfs/dbraw/zinc/16/04/25/583160425.db2.gz ILJHBEOUBKBUPI-UHFFFAOYSA-N 1 2 199.323 2.016 20 0 AEADLO C[N@@H+](Cc1cnsn1)CC(C)(C)C 846795195 583160426 /nfs/dbraw/zinc/16/04/26/583160426.db2.gz ILJHBEOUBKBUPI-UHFFFAOYSA-N 1 2 199.323 2.016 20 0 AEADLO CC(C)CC[N@H+](C)Cc1cnsn1 846776104 583160443 /nfs/dbraw/zinc/16/04/43/583160443.db2.gz JTJQSZNRMUJLRA-UHFFFAOYSA-N 1 2 199.323 2.016 20 0 AEADLO CC(C)CC[N@@H+](C)Cc1cnsn1 846776104 583160444 /nfs/dbraw/zinc/16/04/44/583160444.db2.gz JTJQSZNRMUJLRA-UHFFFAOYSA-N 1 2 199.323 2.016 20 0 AEADLO CC[N@@H+](Cc1cnsn1)CC(C)C 846769601 583160447 /nfs/dbraw/zinc/16/04/47/583160447.db2.gz NCZNPOBIDUTYJD-UHFFFAOYSA-N 1 2 199.323 2.016 20 0 AEADLO CC[N@H+](Cc1cnsn1)CC(C)C 846769601 583160448 /nfs/dbraw/zinc/16/04/48/583160448.db2.gz NCZNPOBIDUTYJD-UHFFFAOYSA-N 1 2 199.323 2.016 20 0 AEADLO CCC(C)(C)[N@H+](C)Cc1cnsn1 846827993 583160639 /nfs/dbraw/zinc/16/06/39/583160639.db2.gz YXAIPYGYNJMDJH-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO CCC(C)(C)[N@@H+](C)Cc1cnsn1 846827993 583160641 /nfs/dbraw/zinc/16/06/41/583160641.db2.gz YXAIPYGYNJMDJH-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[C@H](C)C[N@H+](C)Cc1cnsn1 846801985 583160615 /nfs/dbraw/zinc/16/06/15/583160615.db2.gz FANFFOZRVOBTPU-QMMMGPOBSA-N 1 2 199.323 2.016 20 0 AEADLO CC[C@H](C)C[N@@H+](C)Cc1cnsn1 846801985 583160617 /nfs/dbraw/zinc/16/06/17/583160617.db2.gz FANFFOZRVOBTPU-QMMMGPOBSA-N 1 2 199.323 2.016 20 0 AEADLO CCC[N@H+](Cc1cnsn1)C(C)C 847025311 583161920 /nfs/dbraw/zinc/16/19/20/583161920.db2.gz IOLROFWHHVVJHH-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO CCC[N@@H+](Cc1cnsn1)C(C)C 847025311 583161921 /nfs/dbraw/zinc/16/19/21/583161921.db2.gz IOLROFWHHVVJHH-UHFFFAOYSA-N 1 2 199.323 2.159 20 0 AEADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1C=CCC1 850506775 583186084 /nfs/dbraw/zinc/18/60/84/583186084.db2.gz BTPIVJLBVHJVQA-PSASIEDQSA-N 1 2 191.278 2.087 20 0 AEADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1C=CCC1 850506776 583186134 /nfs/dbraw/zinc/18/61/34/583186134.db2.gz BTPIVJLBVHJVQA-SCZZXKLOSA-N 1 2 191.278 2.087 20 0 AEADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C=CCC1 850506777 583186167 /nfs/dbraw/zinc/18/61/67/583186167.db2.gz BTPIVJLBVHJVQA-WCBMZHEXSA-N 1 2 191.278 2.087 20 0 AEADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C=CCC1 850506778 583186511 /nfs/dbraw/zinc/18/65/11/583186511.db2.gz BTPIVJLBVHJVQA-WPRPVWTQSA-N 1 2 191.278 2.087 20 0 AEADLO F[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 852112014 583205296 /nfs/dbraw/zinc/20/52/96/583205296.db2.gz NARIZOZADHHFQQ-ZCFIWIBFSA-N 1 2 198.068 2.349 20 0 AEADLO F[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 852112014 583205298 /nfs/dbraw/zinc/20/52/98/583205298.db2.gz NARIZOZADHHFQQ-ZCFIWIBFSA-N 1 2 198.068 2.349 20 0 AEADLO CC[C@@H](C)[N@H+](CC)Cc1cnsn1 852291749 583205642 /nfs/dbraw/zinc/20/56/42/583205642.db2.gz YQXSNYAKXXGFEE-MRVPVSSYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[C@@H](C)[N@@H+](CC)Cc1cnsn1 852291749 583205643 /nfs/dbraw/zinc/20/56/43/583205643.db2.gz YQXSNYAKXXGFEE-MRVPVSSYSA-N 1 2 199.323 2.159 20 0 AEADLO CC[C@H](C)[N@H+](CC)Cc1cnsn1 852291752 583206051 /nfs/dbraw/zinc/20/60/51/583206051.db2.gz YQXSNYAKXXGFEE-QMMMGPOBSA-N 1 2 199.323 2.159 20 0 AEADLO CC[C@H](C)[N@@H+](CC)Cc1cnsn1 852291752 583206052 /nfs/dbraw/zinc/20/60/52/583206052.db2.gz YQXSNYAKXXGFEE-QMMMGPOBSA-N 1 2 199.323 2.159 20 0 AEADLO CC(C)=CC[N@@H+]1Cc2ccncc2C1 857874395 583266894 /nfs/dbraw/zinc/26/68/94/583266894.db2.gz LVVCPDHMVYCVHT-UHFFFAOYSA-N 1 2 188.274 2.363 20 0 AEADLO CC(C)=CC[N@H+]1Cc2ccncc2C1 857874395 583266895 /nfs/dbraw/zinc/26/68/95/583266895.db2.gz LVVCPDHMVYCVHT-UHFFFAOYSA-N 1 2 188.274 2.363 20 0 AEADLO CC[C@H](C)CNc1[nH+]cccc1CO 864094402 583315634 /nfs/dbraw/zinc/31/56/34/583315634.db2.gz UKJLLWVJMOGARJ-VIFPVBQESA-N 1 2 194.278 2.032 20 0 AEADLO CC[C@@H](C)CNc1[nH+]cccc1CO 864094397 583316293 /nfs/dbraw/zinc/31/62/93/583316293.db2.gz UKJLLWVJMOGARJ-SECBINFHSA-N 1 2 194.278 2.032 20 0 AEADLO COCCCn1c[nH+]c(C(C)(C)C)c1 865376390 583325372 /nfs/dbraw/zinc/32/53/72/583325372.db2.gz LLVNKKPCGUOGBT-UHFFFAOYSA-N 1 2 196.294 2.217 20 0 AEADLO c1c[nH+]c(COCCCC2CC2)[nH]1 865362209 583324910 /nfs/dbraw/zinc/32/49/10/583324910.db2.gz OPHZVTWOGQEVLN-UHFFFAOYSA-N 1 2 180.251 2.117 20 0 AEADLO CCNc1[nH+]cnc2[nH]c(Cl)cc12 865401458 583325287 /nfs/dbraw/zinc/32/52/87/583325287.db2.gz VVFPJDYRYGZZNC-UHFFFAOYSA-N 1 2 196.641 2.043 20 0 AEADLO CO[C@H](C)Cn1c[nH+]c(C(C)(C)C)c1 865376293 583325461 /nfs/dbraw/zinc/32/54/61/583325461.db2.gz HXPPWLCTBCYNEJ-SECBINFHSA-N 1 2 196.294 2.216 20 0 AEADLO CO[C@@H](C)Cn1c[nH+]c(C(C)(C)C)c1 865376294 583325768 /nfs/dbraw/zinc/32/57/68/583325768.db2.gz HXPPWLCTBCYNEJ-VIFPVBQESA-N 1 2 196.294 2.216 20 0 AEADLO CC(C)c1nc(N(C)CCF)cc[nH+]1 865839383 583328841 /nfs/dbraw/zinc/32/88/41/583328841.db2.gz LEADKWVWALXFIE-UHFFFAOYSA-N 1 2 197.257 2.006 20 0 AEADLO C[N@H+](C/C=C\Cl)Cc1ccco1 207269477 583336322 /nfs/dbraw/zinc/33/63/22/583336322.db2.gz AWROBZMDBLOZPW-HYXAFXHYSA-N 1 2 185.654 2.464 20 0 AEADLO C[N@@H+](C/C=C\Cl)Cc1ccco1 207269477 583336327 /nfs/dbraw/zinc/33/63/27/583336327.db2.gz AWROBZMDBLOZPW-HYXAFXHYSA-N 1 2 185.654 2.464 20 0 AEADLO CCC1=C(C)N2CC[NH+]=C2S1 871600415 583352093 /nfs/dbraw/zinc/35/20/93/583352093.db2.gz PVPNQXBCHLNDPR-UHFFFAOYSA-N 1 2 168.265 2.046 20 0 AEADLO CC1(C)C[NH+](Cc2ccc(F)nc2)C1 877717952 583397353 /nfs/dbraw/zinc/39/73/53/583397353.db2.gz UPCBCOMPCCXMLO-UHFFFAOYSA-N 1 2 194.253 2.063 20 0 AEADLO Cc1csc(C[NH+]2CC(C)(C)C2)n1 877718096 583397703 /nfs/dbraw/zinc/39/77/03/583397703.db2.gz 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RBTYWGLNVKRMIM-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1ccc([C@@H]2CCCC[C@H]2O)c[nH+]1 62950541 168836925 /nfs/dbraw/zinc/83/69/25/168836925.db2.gz QPFDXEBJHGELBE-NWDGAFQWSA-N 1 2 191.274 2.409 20 0 AEADLO Cc1cc[nH+]cc1N[C@H]1CCSC1 70957692 168891266 /nfs/dbraw/zinc/89/12/66/168891266.db2.gz GVPQDHZIFAHAHY-VIFPVBQESA-N 1 2 194.303 2.307 20 0 AEADLO Cc1cc[nH+]cc1NCc1ccccn1 70958173 168891709 /nfs/dbraw/zinc/89/17/09/168891709.db2.gz WXIJRYGGRQJGRO-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1cncc(CNc2cccc[nH+]2)c1 309165857 168910793 /nfs/dbraw/zinc/91/07/93/168910793.db2.gz IXUDGINYFWQRFF-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1nc(N(C)[C@@H](C)C(C)C)cc[nH+]1 334178548 168970232 /nfs/dbraw/zinc/97/02/32/168970232.db2.gz AETIPGFXRCOOFX-VIFPVBQESA-N 1 2 193.294 2.266 20 0 AEADLO Clc1cnc(Cn2cc[nH+]c2)s1 307140632 169026872 /nfs/dbraw/zinc/02/68/72/169026872.db2.gz AYXQBLYUSGNQMR-UHFFFAOYSA-N 1 2 199.666 2.041 20 0 AEADLO Cn1ccc(C[N@@H+]2CCC=C(F)C2)c1 335960873 169044833 /nfs/dbraw/zinc/04/48/33/169044833.db2.gz OKYLZIUXGKVFJP-UHFFFAOYSA-N 1 2 194.253 2.084 20 0 AEADLO Cn1ccc(C[N@H+]2CCC=C(F)C2)c1 335960873 169044836 /nfs/dbraw/zinc/04/48/36/169044836.db2.gz OKYLZIUXGKVFJP-UHFFFAOYSA-N 1 2 194.253 2.084 20 0 AEADLO Cn1ccc(CNc2cccc[nH+]2)c1 306617844 169046320 /nfs/dbraw/zinc/04/63/20/169046320.db2.gz RPUPFTLLGQQNPB-UHFFFAOYSA-N 1 2 187.246 2.032 20 0 AEADLO Cn1cccc1C[N@@H+]1CCC=C(F)C1 335892525 169048907 /nfs/dbraw/zinc/04/89/07/169048907.db2.gz MOEQJYLPQLPSQA-UHFFFAOYSA-N 1 2 194.253 2.084 20 0 AEADLO Cn1cccc1C[N@H+]1CCC=C(F)C1 335892525 169048910 /nfs/dbraw/zinc/04/89/10/169048910.db2.gz MOEQJYLPQLPSQA-UHFFFAOYSA-N 1 2 194.253 2.084 20 0 AEADLO Cn1cccc1CNc1cccc[nH+]1 307507382 169050321 /nfs/dbraw/zinc/05/03/21/169050321.db2.gz MRCXQCHEUOZGMC-UHFFFAOYSA-N 1 2 187.246 2.032 20 0 AEADLO Cn1cc[nH+]c1CNc1ccccc1 36804423 169051752 /nfs/dbraw/zinc/05/17/52/169051752.db2.gz PBKOIDUQJWJGPR-UHFFFAOYSA-N 1 2 187.246 2.032 20 0 AEADLO Cn1cc[nH+]c1CSC1CCC1 336271775 169051925 /nfs/dbraw/zinc/05/19/25/169051925.db2.gz SWAWUMPCPZYACU-UHFFFAOYSA-N 1 2 182.292 2.206 20 0 AEADLO Cn1cc[nH+]c1-c1ccccc1 5425192 169052252 /nfs/dbraw/zinc/05/22/52/169052252.db2.gz OQJQPIWVCBJVAZ-UHFFFAOYSA-N 1 2 158.204 2.087 20 0 AEADLO Cn1c[nH+]cc1CSC1CCC1 336273526 169057277 /nfs/dbraw/zinc/05/72/77/169057277.db2.gz LQUGLAPHKCSBFK-UHFFFAOYSA-N 1 2 182.292 2.206 20 0 AEADLO Cn1c[nH+]cc1-c1ccccc1 5286121 169057746 /nfs/dbraw/zinc/05/77/46/169057746.db2.gz KSXRUTOEIGCNSN-UHFFFAOYSA-N 1 2 158.204 2.087 20 0 AEADLO FC(F)C[NH2+]Cc1cccs1 37895155 169074583 /nfs/dbraw/zinc/07/45/83/169074583.db2.gz GEAWCEKELNADLM-UHFFFAOYSA-N 1 2 177.219 2.103 20 0 AEADLO FC1(F)CC[N@@H+]([C@H]2C=CCCC2)C1 306306732 169075697 /nfs/dbraw/zinc/07/56/97/169075697.db2.gz FIIJXNRANUBFKA-VIFPVBQESA-N 1 2 187.233 2.436 20 0 AEADLO FC1(F)CC[N@H+]([C@H]2C=CCCC2)C1 306306732 169075698 /nfs/dbraw/zinc/07/56/98/169075698.db2.gz FIIJXNRANUBFKA-VIFPVBQESA-N 1 2 187.233 2.436 20 0 AEADLO FC1=CCC[N@H+](Cc2ccncc2)C1 334409952 169076261 /nfs/dbraw/zinc/07/62/61/169076261.db2.gz MIRLBYFAAFSPMT-UHFFFAOYSA-N 1 2 192.237 2.141 20 0 AEADLO FC1=CCC[N@@H+](Cc2ccncc2)C1 334409952 169076264 /nfs/dbraw/zinc/07/62/64/169076264.db2.gz MIRLBYFAAFSPMT-UHFFFAOYSA-N 1 2 192.237 2.141 20 0 AEADLO FC1(F)CC[N@@H+]([C@@H]2C=CCCC2)C1 306306731 169076285 /nfs/dbraw/zinc/07/62/85/169076285.db2.gz FIIJXNRANUBFKA-SECBINFHSA-N 1 2 187.233 2.436 20 0 AEADLO FC1(F)CC[N@H+]([C@@H]2C=CCCC2)C1 306306731 169076287 /nfs/dbraw/zinc/07/62/87/169076287.db2.gz FIIJXNRANUBFKA-SECBINFHSA-N 1 2 187.233 2.436 20 0 AEADLO FC1(F)CC(Nc2cccc[nH+]2)C1 307317053 169076541 /nfs/dbraw/zinc/07/65/41/169076541.db2.gz KBOWRZFLPWAVEH-UHFFFAOYSA-N 1 2 184.189 2.291 20 0 AEADLO FC1(F)CC[N@H+](CCC2CC2)C1 335632737 169076674 /nfs/dbraw/zinc/07/66/74/169076674.db2.gz XSYQAURLZDXWGD-UHFFFAOYSA-N 1 2 175.222 2.128 20 0 AEADLO FC1(F)CC[N@@H+](CCC2CC2)C1 335632737 169076675 /nfs/dbraw/zinc/07/66/75/169076675.db2.gz 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/nfs/dbraw/zinc/07/92/06/169079206.db2.gz UVHJXNNEYBAOJB-UHFFFAOYSA-N 1 2 196.250 2.396 20 0 AEADLO F[C@H]1CC[C@@H](Nc2cccc[nH+]2)C1 306408951 169080613 /nfs/dbraw/zinc/08/06/13/169080613.db2.gz IIILOEXWTGUXOO-DTWKUNHWSA-N 1 2 180.226 2.384 20 0 AEADLO F[C@H]1CC[C@H](Nc2cccc[nH+]2)C1 306408952 169080618 /nfs/dbraw/zinc/08/06/18/169080618.db2.gz IIILOEXWTGUXOO-IUCAKERBSA-N 1 2 180.226 2.384 20 0 AEADLO Fc1ccc(-n2cc[nH+]c2)c(F)c1 79390169 169082095 /nfs/dbraw/zinc/08/20/95/169082095.db2.gz PUKJEUASBPFMHL-UHFFFAOYSA-N 1 2 180.157 2.151 20 0 AEADLO Fc1ccc(-n2cc[nH+]c2)cc1F 83348247 169082286 /nfs/dbraw/zinc/08/22/86/169082286.db2.gz NXGMLTIABIELTC-UHFFFAOYSA-N 1 2 180.157 2.151 20 0 AEADLO Fc1ccc(NCc2c[nH+]c[nH]2)cc1 54763275 169082694 /nfs/dbraw/zinc/08/26/94/169082694.db2.gz UADWXKRUFSIDOS-UHFFFAOYSA-N 1 2 191.209 2.161 20 0 AEADLO Fc1ccc(NCc2c[nH]c[nH+]2)cc1 54763275 169082696 /nfs/dbraw/zinc/08/26/96/169082696.db2.gz UADWXKRUFSIDOS-UHFFFAOYSA-N 1 2 191.209 2.161 20 0 AEADLO 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191.209 2.161 20 0 AEADLO Fc1ccccc1NCc1c[nH]c[nH+]1 54763287 169087823 /nfs/dbraw/zinc/08/78/23/169087823.db2.gz QYDWKMFHJDRZGH-UHFFFAOYSA-N 1 2 191.209 2.161 20 0 AEADLO Fc1ccccc1C[N@H+]1CC[C@H](F)C1 336222881 169088159 /nfs/dbraw/zinc/08/81/59/169088159.db2.gz QMDSYDJMHPZZSZ-JTQLQIEISA-N 1 2 197.228 2.370 20 0 AEADLO Fc1ccccc1C[N@@H+]1CC[C@H](F)C1 336222881 169088161 /nfs/dbraw/zinc/08/81/61/169088161.db2.gz QMDSYDJMHPZZSZ-JTQLQIEISA-N 1 2 197.228 2.370 20 0 AEADLO Fc1ccccc1-n1cc[nH+]c1 34548821 169088216 /nfs/dbraw/zinc/08/82/16/169088216.db2.gz GWEXXBVPLGNFOW-UHFFFAOYSA-N 1 2 162.167 2.011 20 0 AEADLO Fc1ccccc1C[N@H+]1CC[C@@H](F)C1 336222882 169088446 /nfs/dbraw/zinc/08/84/46/169088446.db2.gz QMDSYDJMHPZZSZ-SNVBAGLBSA-N 1 2 197.228 2.370 20 0 AEADLO Fc1ccccc1C[N@@H+]1CC[C@@H](F)C1 336222882 169088449 /nfs/dbraw/zinc/08/84/49/169088449.db2.gz QMDSYDJMHPZZSZ-SNVBAGLBSA-N 1 2 197.228 2.370 20 0 AEADLO Fc1c[nH+]ccc1NCc1ccco1 306185317 169088921 /nfs/dbraw/zinc/08/89/21/169088921.db2.gz 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/nfs/dbraw/zinc/30/30/50/169303050.db2.gz XADYFGMTYDYUMM-UHFFFAOYSA-N 1 2 198.269 2.449 20 0 AEADLO Nc1[nH+]ccc2cccc(Cl)c12 71482619 169308966 /nfs/dbraw/zinc/30/89/66/169308966.db2.gz ZFONFQXXXRZADU-UHFFFAOYSA-N 1 2 178.622 2.470 20 0 AEADLO c1ccc(NC[C@H]2CC23CC3)[nH+]c1 334970323 169477254 /nfs/dbraw/zinc/47/72/54/169477254.db2.gz UYJXDFCKFATECV-SECBINFHSA-N 1 2 174.247 2.294 20 0 AEADLO CCC1CC[NH+](CC(F)F)CC1 145635479 344034993 /nfs/dbraw/zinc/03/49/93/344034993.db2.gz AHORKOURRBBLFT-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO CC(C)Nc1cc[nH+]c(C(C)C)n1 146815151 344041833 /nfs/dbraw/zinc/04/18/33/344041833.db2.gz LTHAXUIRCOUYFU-UHFFFAOYSA-N 1 2 179.267 2.420 20 0 AEADLO Cc1ccccc1NCc1c[nH+]c[nH]1 35776098 171059732 /nfs/dbraw/zinc/05/97/32/171059732.db2.gz FDTGJDIQSWUTLR-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO Cc1ccccc1NCc1c[nH]c[nH+]1 35776098 171059733 /nfs/dbraw/zinc/05/97/33/171059733.db2.gz FDTGJDIQSWUTLR-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO Fc1cc(F)cc(-n2cc[nH+]c2)c1 83348250 171130517 /nfs/dbraw/zinc/13/05/17/171130517.db2.gz KSNLNLIOAQTSON-UHFFFAOYSA-N 1 2 180.157 2.151 20 0 AEADLO F[C@@H]1CC[C@@H](Nc2cccc[nH+]2)C1 306408954 171158043 /nfs/dbraw/zinc/15/80/43/171158043.db2.gz IIILOEXWTGUXOO-RKDXNWHRSA-N 1 2 180.226 2.384 20 0 AEADLO F[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 306408950 171158151 /nfs/dbraw/zinc/15/81/51/171158151.db2.gz IIILOEXWTGUXOO-BDAKNGLRSA-N 1 2 180.226 2.384 20 0 AEADLO Cc1cc[nH+]c(C)c1NC(=O)C(C)C 306646492 171158932 /nfs/dbraw/zinc/15/89/32/171158932.db2.gz BOXBNACAOHTWAE-UHFFFAOYSA-N 1 2 192.262 2.293 20 0 AEADLO F[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 307085273 171177760 /nfs/dbraw/zinc/17/77/60/171177760.db2.gz MEEGZJLHSWLULV-BDAKNGLRSA-N 1 2 180.226 2.384 20 0 AEADLO CC[C@@H]1CCN(c2cccc[nH+]2)C1 307009914 171178238 /nfs/dbraw/zinc/17/82/38/171178238.db2.gz IJTKLFPBVIMSGW-SNVBAGLBSA-N 1 2 176.263 2.318 20 0 AEADLO F[C@H]1CCC[C@H]1Nc1cccc[nH+]1 307367370 171178814 /nfs/dbraw/zinc/17/88/14/171178814.db2.gz MEEGZJLHSWLULV-DTWKUNHWSA-N 1 2 180.226 2.384 20 0 AEADLO C[C@H]1CC[C@@H](C)N1c1cccc[nH+]1 307332283 171191683 /nfs/dbraw/zinc/19/16/83/171191683.db2.gz ABEZSNUKWWRRLT-AOOOYVTPSA-N 1 2 176.263 2.459 20 0 AEADLO c1cncc(COc2cc[nH+]cc2)c1 334710286 171200777 /nfs/dbraw/zinc/20/07/77/171200777.db2.gz KAMMNSMEQWQWRY-UHFFFAOYSA-N 1 2 186.214 2.056 20 0 AEADLO CC[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 336184741 171209497 /nfs/dbraw/zinc/20/94/97/171209497.db2.gz UDXQXVXEXNHGGS-SNVBAGLBSA-N 1 2 191.278 2.021 20 0 AEADLO CC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 336581858 171211510 /nfs/dbraw/zinc/21/15/10/171211510.db2.gz KMLNRYKRJDHKAG-SNVBAGLBSA-N 1 2 191.278 2.021 20 0 AEADLO Cc1cc[nH+]c(C)c1NC(=O)C1CC1 306170361 171214294 /nfs/dbraw/zinc/21/42/94/171214294.db2.gz KDZIRZYAQGCBPI-UHFFFAOYSA-N 1 2 190.246 2.047 20 0 AEADLO Cc1nc(Cn2cc[nH+]c2)c(C)s1 165128236 344258610 /nfs/dbraw/zinc/25/86/10/344258610.db2.gz ZWJYXVUZKGLWGO-UHFFFAOYSA-N 1 2 193.275 2.005 20 0 AEADLO C[C@@H]1CCCN1c1cccc[nH+]1 210035115 344377112 /nfs/dbraw/zinc/37/71/12/344377112.db2.gz GPBKCBFOEJNCRL-SECBINFHSA-N 1 2 162.236 2.070 20 0 AEADLO CCCCc1cc[nH+]cc1N 233034076 344699426 /nfs/dbraw/zinc/69/94/26/344699426.db2.gz KQZDHWJSBHASKA-UHFFFAOYSA-N 1 2 150.225 2.006 20 0 AEADLO Cn1c[nH+]c(CNc2ccccc2)c1 236145920 344775339 /nfs/dbraw/zinc/77/53/39/344775339.db2.gz AECPPZXNNJKBMH-UHFFFAOYSA-N 1 2 187.246 2.032 20 0 AEADLO CCOc1ccc(C)[nH+]c1CC 306481487 345349737 /nfs/dbraw/zinc/34/97/37/345349737.db2.gz HMANPINQQLOQRW-UHFFFAOYSA-N 1 2 165.236 2.351 20 0 AEADLO CC1(C)CCC[N@H+](CC(F)F)C1 306512614 345383868 /nfs/dbraw/zinc/38/38/68/345383868.db2.gz QHKCADUDVKNNTO-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO CC1(C)CCC[N@@H+](CC(F)F)C1 306512614 345383870 /nfs/dbraw/zinc/38/38/70/345383870.db2.gz QHKCADUDVKNNTO-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO CCc1cc(NC2(CC)CC2)nc[nH+]1 306568526 345445297 /nfs/dbraw/zinc/44/52/97/345445297.db2.gz UYULYXNNOABZII-UHFFFAOYSA-N 1 2 191.278 2.394 20 0 AEADLO CC1(C)CC[NH+](CC(F)F)CC1 307071981 345793535 /nfs/dbraw/zinc/79/35/35/345793535.db2.gz XYOJDADXKIHHKA-UHFFFAOYSA-N 1 2 177.238 2.374 20 0 AEADLO C[C@H]1CC[C@@H](CNc2cccc[nH+]2)O1 307309324 345961710 /nfs/dbraw/zinc/96/17/10/345961710.db2.gz FFJNRKFCZLCLCV-UWVGGRQHSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@H]1CC[C@H](CNc2cccc[nH+]2)O1 307309325 345961755 /nfs/dbraw/zinc/96/17/55/345961755.db2.gz FFJNRKFCZLCLCV-VHSXEESVSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@H]1CSC[C@@H]1Nc1cccc[nH+]1 307562988 346114511 /nfs/dbraw/zinc/11/45/11/346114511.db2.gz LZICPTHGFBBEFZ-IUCAKERBSA-N 1 2 194.303 2.245 20 0 AEADLO CC[C@H](CSC)[N@H+](C)CC(F)F 307987950 346247786 /nfs/dbraw/zinc/24/77/86/346247786.db2.gz RTNGEQCVSDCLCT-SSDOTTSWSA-N 1 2 197.294 2.325 20 0 AEADLO CC[C@H](CSC)[N@@H+](C)CC(F)F 307987950 346247787 /nfs/dbraw/zinc/24/77/87/346247787.db2.gz RTNGEQCVSDCLCT-SSDOTTSWSA-N 1 2 197.294 2.325 20 0 AEADLO Cc1nc(N2[C@H](C)CC[C@H]2C)cc[nH+]1 334629994 346358404 /nfs/dbraw/zinc/35/84/04/346358404.db2.gz BFGSNEXKXDCTTF-RKDXNWHRSA-N 1 2 191.278 2.162 20 0 AEADLO Cc1nc(N2CC[C@H](C)[C@H]2C)cc[nH+]1 336080779 346437663 /nfs/dbraw/zinc/43/76/63/346437663.db2.gz BSBAJQMQUKYPBT-DTWKUNHWSA-N 1 2 191.278 2.020 20 0 AEADLO CC(C)CSCc1[nH+]ccn1C 388398568 346552303 /nfs/dbraw/zinc/55/23/03/346552303.db2.gz LBJQRUFFEAPJRJ-UHFFFAOYSA-N 1 2 184.308 2.309 20 0 AEADLO CCC[N@H+](C)Cc1noc(C(C)C)n1 621322563 347226021 /nfs/dbraw/zinc/22/60/21/347226021.db2.gz ABIXIHCBPSJMFP-UHFFFAOYSA-N 1 2 197.282 2.035 20 0 AEADLO CCC[N@@H+](C)Cc1noc(C(C)C)n1 621322563 347226022 /nfs/dbraw/zinc/22/60/22/347226022.db2.gz ABIXIHCBPSJMFP-UHFFFAOYSA-N 1 2 197.282 2.035 20 0 AEADLO Cc1cc(C[NH+](C2CC2)C2CC2)no1 625837340 347292733 /nfs/dbraw/zinc/29/27/33/347292733.db2.gz MSOMFSOOXXUONU-UHFFFAOYSA-N 1 2 192.262 2.110 20 0 AEADLO c1cc(C[NH+]2CC3(CCCC3)C2)no1 639180692 347503588 /nfs/dbraw/zinc/50/35/88/347503588.db2.gz JJHZUTDVNYFNFO-UHFFFAOYSA-N 1 2 192.262 2.051 20 0 AEADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1C 641410675 347571604 /nfs/dbraw/zinc/57/16/04/347571604.db2.gz UTKPBPIJWJCILW-RKDXNWHRSA-N 1 2 194.253 2.313 20 0 AEADLO CCCN(CC)c1cc[nH+]cc1F 641415212 347572304 /nfs/dbraw/zinc/57/23/04/347572304.db2.gz PMDYLRQRNQISQQ-UHFFFAOYSA-N 1 2 182.242 2.457 20 0 AEADLO c1ccc(NC[C@H]2CCCCO2)[nH+]c1 44417584 351538938 /nfs/dbraw/zinc/53/89/38/351538938.db2.gz PZBYNPYNBTUAEL-SNVBAGLBSA-N 1 2 192.262 2.063 20 0 AEADLO CC/C=C/CNc1cc[nH+]c(C)n1 307084623 409614113 /nfs/dbraw/zinc/61/41/13/409614113.db2.gz WSEUHLTVRMOQQD-SNAWJCMRSA-N 1 2 177.251 2.163 20 0 AEADLO CCCCN(C)c1[nH+]cccc1OC 527821159 325651703 /nfs/dbraw/zinc/65/17/03/325651703.db2.gz CCEHYALSOZXHEA-UHFFFAOYSA-N 1 2 194.278 2.327 20 0 AEADLO C/C(Cl)=C\COCc1[nH]cc[nH+]1 530108904 325663541 /nfs/dbraw/zinc/66/35/41/325663541.db2.gz SRDQEDMJPPWILI-FARCUNLSSA-N 1 2 186.642 2.069 20 0 AEADLO CC[C@@H]1C[NH2+]c2ccc(N)cc21 536953563 325669681 /nfs/dbraw/zinc/66/96/81/325669681.db2.gz MTWRQJOFKJSFDF-SSDOTTSWSA-N 1 2 162.236 2.188 20 0 AEADLO CC[C@H]1C[NH2+]c2ccc(N)cc21 536953566 325669755 /nfs/dbraw/zinc/66/97/55/325669755.db2.gz MTWRQJOFKJSFDF-ZETCQYMHSA-N 1 2 162.236 2.188 20 0 AEADLO CC[C@]1(C)C[NH2+]c2ccc(N)cc21 536954405 325670416 /nfs/dbraw/zinc/67/04/16/325670416.db2.gz TUFRDTVYEDOLCL-LLVKDONJSA-N 1 2 176.263 2.362 20 0 AEADLO C[N@H+](CC(F)F)CC(C)(C)C 17408340 343046878 /nfs/dbraw/zinc/04/68/78/343046878.db2.gz ADSLKZKCTWQQLW-UHFFFAOYSA-N 1 2 165.227 2.229 20 0 AEADLO C[N@@H+](CC(F)F)CC(C)(C)C 17408340 343046881 /nfs/dbraw/zinc/04/68/81/343046881.db2.gz ADSLKZKCTWQQLW-UHFFFAOYSA-N 1 2 165.227 2.229 20 0 AEADLO CCc1cccc2ccc(N)[nH+]c12 34016869 343109041 /nfs/dbraw/zinc/10/90/41/343109041.db2.gz YBNNCKJZTWKQBC-UHFFFAOYSA-N 1 2 172.231 2.379 20 0 AEADLO Cc1cc2cc(O)ccc2c[nH+]1 39060283 343195154 /nfs/dbraw/zinc/19/51/54/343195154.db2.gz SGMNYHIVWXVNDA-UHFFFAOYSA-N 1 2 159.188 2.249 20 0 AEADLO CSc1[nH+]cc2ccccn12 39254987 343208519 /nfs/dbraw/zinc/20/85/19/343208519.db2.gz HUJPECQCLXMVDW-UHFFFAOYSA-N 1 2 164.233 2.056 20 0 AEADLO CCCCOCCNc1cccc[nH+]1 40507591 343219571 /nfs/dbraw/zinc/21/95/71/343219571.db2.gz KQZQEVJOJPJWDG-UHFFFAOYSA-N 1 2 194.278 2.310 20 0 AEADLO Cc1cc(NCC(C)(C)C)nc[nH+]1 40727422 343222198 /nfs/dbraw/zinc/22/21/98/343222198.db2.gz MGZKAWPTFIYIMR-UHFFFAOYSA-N 1 2 179.267 2.243 20 0 AEADLO Cc1cc(NCC2CCCC2)nc[nH+]1 40727139 343222222 /nfs/dbraw/zinc/22/22/22/343222222.db2.gz WWXPDAYHRWHDNE-UHFFFAOYSA-N 1 2 191.278 2.387 20 0 AEADLO Cc1cc(NCCC(C)C)nc[nH+]1 40727038 343222390 /nfs/dbraw/zinc/22/23/90/343222390.db2.gz CPBBREFYLJEUBC-UHFFFAOYSA-N 1 2 179.267 2.243 20 0 AEADLO CCc1cc(NC2CCCC2)nc[nH+]1 40765000 343222985 /nfs/dbraw/zinc/22/29/85/343222985.db2.gz MWYVCOZQNMLABG-UHFFFAOYSA-N 1 2 191.278 2.394 20 0 AEADLO CCc1cc(NCC(C)C)nc[nH+]1 40764999 343223032 /nfs/dbraw/zinc/22/30/32/343223032.db2.gz GWECTQMCHCMNOH-UHFFFAOYSA-N 1 2 179.267 2.107 20 0 AEADLO CCc1cc(N[C@@H](C)C2CC2)nc[nH+]1 40765111 343223038 /nfs/dbraw/zinc/22/30/38/343223038.db2.gz ZDEOCBBJTAPBCK-QMMMGPOBSA-N 1 2 191.278 2.249 20 0 AEADLO CCc1cc(N[C@H](C)CC)nc[nH+]1 40764997 343223136 /nfs/dbraw/zinc/22/31/36/343223136.db2.gz UYICOLOBJNVUFP-MRVPVSSYSA-N 1 2 179.267 2.249 20 0 AEADLO CCCCNc1cc(CC)[nH+]cn1 40765023 343223156 /nfs/dbraw/zinc/22/31/56/343223156.db2.gz ZONCLEAFQPPSEW-UHFFFAOYSA-N 1 2 179.267 2.251 20 0 AEADLO CCc1ccc(Cn2cc[nH+]c2)cc1 41203542 343231784 /nfs/dbraw/zinc/23/17/84/343231784.db2.gz JBFAQHIXFUHXBM-UHFFFAOYSA-N 1 2 186.258 2.494 20 0 AEADLO Cc1cc(N)nc(-c2ccsc2)[nH+]1 44119447 343260559 /nfs/dbraw/zinc/26/05/59/343260559.db2.gz NIBSBLQRIKTCCU-UHFFFAOYSA-N 1 2 191.259 2.096 20 0 AEADLO Cc1cccc(-c2cc(N)nc(C)[nH+]2)c1 44262490 343263125 /nfs/dbraw/zinc/26/31/25/343263125.db2.gz FQQWXEXJNNUONG-UHFFFAOYSA-N 1 2 199.257 2.343 20 0 AEADLO CC1(C)C[C@@H]1Nc1cccc[nH+]1 44368355 343263955 /nfs/dbraw/zinc/26/39/55/343263955.db2.gz MQHXIEXTKUDECV-QMMMGPOBSA-N 1 2 162.236 2.292 20 0 AEADLO CCc1cc(N[C@H]2CC2(C)C)nc[nH+]1 45135608 343271144 /nfs/dbraw/zinc/27/11/44/343271144.db2.gz FCTCOXRHAFDOSI-VIFPVBQESA-N 1 2 191.278 2.249 20 0 AEADLO CCc1c(N)nc(CC(C)C)[nH+]c1C 50845340 343286482 /nfs/dbraw/zinc/28/64/82/343286482.db2.gz VNACEVCYKHJSTJ-UHFFFAOYSA-N 1 2 193.294 2.128 20 0 AEADLO CCc1cc(NC2CCC2)nc[nH+]1 52211340 343302177 /nfs/dbraw/zinc/30/21/77/343302177.db2.gz GAUWEUAAZAWHPG-UHFFFAOYSA-N 1 2 177.251 2.003 20 0 AEADLO Cc1ccc(NCc2c[nH+]c[nH]2)cc1 54763380 343328605 /nfs/dbraw/zinc/32/86/05/343328605.db2.gz FYLVYMRJYHIUDM-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO Cc1ccc(NCc2c[nH]c[nH+]2)cc1 54763380 343328608 /nfs/dbraw/zinc/32/86/08/343328608.db2.gz FYLVYMRJYHIUDM-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO CCC(CC)Nc1cc[nH+]c(C)n1 54935632 343331701 /nfs/dbraw/zinc/33/17/01/343331701.db2.gz XGWSFUVPTAIBMO-UHFFFAOYSA-N 1 2 179.267 2.386 20 0 AEADLO CCCCCNc1cc[nH+]c(C)n1 54935676 343331921 /nfs/dbraw/zinc/33/19/21/343331921.db2.gz WSCZYJQZIKGZIP-UHFFFAOYSA-N 1 2 179.267 2.387 20 0 AEADLO Cc1nc(NCC(C)(C)C)cc[nH+]1 54936065 343332400 /nfs/dbraw/zinc/33/24/00/343332400.db2.gz ZXROSRGMZOKJPQ-UHFFFAOYSA-N 1 2 179.267 2.243 20 0 AEADLO c1csc(C[NH2+]Cc2ccoc2)n1 62103701 343370709 /nfs/dbraw/zinc/37/07/09/343370709.db2.gz FJYSMJZJNZXVQM-UHFFFAOYSA-N 1 2 194.259 2.026 20 0 AEADLO Cc1ccc([C@H]2CCCC[C@@H]2O)c[nH+]1 62950540 343387717 /nfs/dbraw/zinc/38/77/17/343387717.db2.gz QPFDXEBJHGELBE-NEPJUHHUSA-N 1 2 191.274 2.409 20 0 AEADLO Cc1ccc([C@H]2CCCC[C@H]2O)c[nH+]1 62950542 343387792 /nfs/dbraw/zinc/38/77/92/343387792.db2.gz QPFDXEBJHGELBE-VXGBXAGGSA-N 1 2 191.274 2.409 20 0 AEADLO FC(F)(F)CCNc1cccc[nH+]1 63100513 343402495 /nfs/dbraw/zinc/40/24/95/343402495.db2.gz QBZKDMGYOBMWPE-UHFFFAOYSA-N 1 2 190.168 2.446 20 0 AEADLO CN(c1cccc[nH+]1)C1CCC1 66309000 343409560 /nfs/dbraw/zinc/40/95/60/343409560.db2.gz PKWIATLYBUNVCB-UHFFFAOYSA-N 1 2 162.236 2.070 20 0 AEADLO Cc1ccc([NH+]2CCCC2)c(C)c1N 66054578 343408931 /nfs/dbraw/zinc/40/89/31/343408931.db2.gz JBXQUYFREVUGPO-UHFFFAOYSA-N 1 2 190.290 2.486 20 0 AEADLO c1cc(C[NH2+]Cc2cscn2)co1 70167292 343476723 /nfs/dbraw/zinc/47/67/23/343476723.db2.gz ADYWFXLSNWHORV-UHFFFAOYSA-N 1 2 194.259 2.026 20 0 AEADLO c1csc(CCn2cc[nH+]c2)c1 70162834 343476746 /nfs/dbraw/zinc/47/67/46/343476746.db2.gz KGBZGAXCMOHVLF-UHFFFAOYSA-N 1 2 178.260 2.187 20 0 AEADLO CSCCCNc1cccc[nH+]1 70184891 343477414 /nfs/dbraw/zinc/47/74/14/343477414.db2.gz UQIQDGZTTGTJJF-UHFFFAOYSA-N 1 2 182.292 2.247 20 0 AEADLO Cc1cc[nH+]cc1NCc1cccnc1 70957745 343544367 /nfs/dbraw/zinc/54/43/67/343544367.db2.gz NHNYKZNJXMPPQN-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1cc[nH+]cc1NCC1CC1 70958359 343544369 /nfs/dbraw/zinc/54/43/69/343544369.db2.gz VWSZIGYOXYSLKI-UHFFFAOYSA-N 1 2 162.236 2.212 20 0 AEADLO Cc1cc[nH+]cc1N[C@@H]1CCSC1 70957688 343544388 /nfs/dbraw/zinc/54/43/88/343544388.db2.gz GVPQDHZIFAHAHY-SECBINFHSA-N 1 2 194.303 2.307 20 0 AEADLO Cc1cc[nH+]cc1NCc1ccncc1 70957780 343544442 /nfs/dbraw/zinc/54/44/42/343544442.db2.gz NHNHSEMFHNLSKW-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1cc[nH+]cc1NCC(C)C 70957771 343544453 /nfs/dbraw/zinc/54/44/53/343544453.db2.gz BFYKDZNMWREQMZ-UHFFFAOYSA-N 1 2 164.252 2.458 20 0 AEADLO Cc1cc[nH+]cc1NC1CCC1 70958679 343544794 /nfs/dbraw/zinc/54/47/94/343544794.db2.gz OVNQPWKSHULTBK-UHFFFAOYSA-N 1 2 162.236 2.354 20 0 AEADLO Cc1[nH+]cnc(N)c1-c1ccccc1 71499679 343555249 /nfs/dbraw/zinc/55/52/49/343555249.db2.gz OFKJBZUSLOPDCV-UHFFFAOYSA-N 1 2 185.230 2.034 20 0 AEADLO Cc1ccc(CCn2cc[nH+]c2)cc1 79525034 343589412 /nfs/dbraw/zinc/58/94/12/343589412.db2.gz LWYCCSCVUBDMLE-UHFFFAOYSA-N 1 2 186.258 2.434 20 0 AEADLO c1cn(CCC2CCCC2)c[nH+]1 82091703 343595472 /nfs/dbraw/zinc/59/54/72/343595472.db2.gz FTZWCQXNYLJNQO-UHFFFAOYSA-N 1 2 164.252 2.463 20 0 AEADLO CCC(O)(CC)CNc1cccc[nH+]1 82263716 343596968 /nfs/dbraw/zinc/59/69/68/343596968.db2.gz MNAHNHGCCRLNOV-UHFFFAOYSA-N 1 2 194.278 2.045 20 0 AEADLO Cc1cc(NC(=O)CC2CC2)cc[nH+]1 82268395 343597033 /nfs/dbraw/zinc/59/70/33/343597033.db2.gz NRPVCSYINMZUJF-UHFFFAOYSA-N 1 2 190.246 2.129 20 0 AEADLO Cc1[nH+]c(C(C)C)ccc1CO 82480667 343605455 /nfs/dbraw/zinc/60/54/55/343605455.db2.gz RIPNXKAIQGKTIK-UHFFFAOYSA-N 1 2 165.236 2.006 20 0 in-vitro AEADLO Cc1ccc(NCc2ccccn2)c[nH+]1 83343213 343618593 /nfs/dbraw/zinc/61/85/93/343618593.db2.gz VDCOKDCXGOVFJP-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1ccc(NCc2ccncc2)c[nH+]1 83343212 343618711 /nfs/dbraw/zinc/61/87/11/343618711.db2.gz MDPCXCAKENOYGL-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1ccc(NCC(C)C)c[nH+]1 83339774 343618909 /nfs/dbraw/zinc/61/89/09/343618909.db2.gz PNOKRFKVFDQODC-UHFFFAOYSA-N 1 2 164.252 2.458 20 0 AEADLO CCc1cc(NCCC2CC2)nc[nH+]1 83911180 343627826 /nfs/dbraw/zinc/62/78/26/343627826.db2.gz LFQGOHXRVKPRFI-UHFFFAOYSA-N 1 2 191.278 2.251 20 0 AEADLO Cc1nc(N[C@H]2CC=CCC2)cc[nH+]1 84080477 343630498 /nfs/dbraw/zinc/63/04/98/343630498.db2.gz ILZMMWMTFPVNOG-JTQLQIEISA-N 1 2 189.262 2.306 20 0 AEADLO Cn1c[nH+]cc1CNc1ccccc1 85167651 343641326 /nfs/dbraw/zinc/64/13/26/343641326.db2.gz HPLOWJLITHEYTA-UHFFFAOYSA-N 1 2 187.246 2.032 20 0 AEADLO Cc1cc[nH+]cc1NCc1cc[nH]c1 85579900 343644940 /nfs/dbraw/zinc/64/49/40/343644940.db2.gz HAYXRBNSYKLTQN-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO Cc1[nH+]cccc1NCC1CC1 85711506 343646389 /nfs/dbraw/zinc/64/63/89/343646389.db2.gz FCAKCDKBHOZRDT-UHFFFAOYSA-N 1 2 162.236 2.212 20 0 AEADLO Cc1[nH+]cccc1NCc1cc[nH]c1 85711904 343646726 /nfs/dbraw/zinc/64/67/26/343646726.db2.gz ODPYEQNPSCEPKC-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO Cc1[nH+]cccc1NCc1cccnc1 85711442 343646757 /nfs/dbraw/zinc/64/67/57/343646757.db2.gz NUCBTBOLZWEJGE-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1[nH+]cccc1N[C@H]1CCSC1 85726630 343646976 /nfs/dbraw/zinc/64/69/76/343646976.db2.gz FPPJCBYATHNFER-VIFPVBQESA-N 1 2 194.303 2.307 20 0 AEADLO Cc1[nH+]cccc1NC1CCC1 85712260 343647054 /nfs/dbraw/zinc/64/70/54/343647054.db2.gz RLSBFODFPFGLMO-UHFFFAOYSA-N 1 2 162.236 2.354 20 0 AEADLO Cc1[nH+]cccc1N[C@@H]1CCSC1 85726628 343647157 /nfs/dbraw/zinc/64/71/57/343647157.db2.gz FPPJCBYATHNFER-SECBINFHSA-N 1 2 194.303 2.307 20 0 AEADLO CCC(=O)Nc1ccc(C)[nH+]c1C 87152534 343658183 /nfs/dbraw/zinc/65/81/83/343658183.db2.gz WDFPVSBWMMNQGU-UHFFFAOYSA-N 1 2 178.235 2.047 20 0 AEADLO Cc1ccc(NC(=O)C2CC2)c(C)[nH+]1 87152531 343658265 /nfs/dbraw/zinc/65/82/65/343658265.db2.gz LTBGFRRNTKRHBQ-UHFFFAOYSA-N 1 2 190.246 2.047 20 0 AEADLO Cc1ccc(NC(=O)C(C)C)c(C)[nH+]1 87152535 343658289 /nfs/dbraw/zinc/65/82/89/343658289.db2.gz CSKLZUCZASXUBA-UHFFFAOYSA-N 1 2 192.262 2.293 20 0 AEADLO CCCC(=O)Nc1ccc(C)[nH+]c1C 87152536 343658448 /nfs/dbraw/zinc/65/84/48/343658448.db2.gz PBHINJXUUABIRQ-UHFFFAOYSA-N 1 2 192.262 2.437 20 0 AEADLO C[C@@]1(CNc2cccc[nH+]2)CCCO1 87256094 343658841 /nfs/dbraw/zinc/65/88/41/343658841.db2.gz OSQLMBRNIXLANX-NSHDSACASA-N 1 2 192.262 2.063 20 0 AEADLO C[C@]1(CNc2cccc[nH+]2)CCCO1 87256092 343658934 /nfs/dbraw/zinc/65/89/34/343658934.db2.gz OSQLMBRNIXLANX-LLVKDONJSA-N 1 2 192.262 2.063 20 0 AEADLO Cc1nc(Cn2cc[nH+]c2)sc1C 87397321 343660485 /nfs/dbraw/zinc/66/04/85/343660485.db2.gz MMWJCQZYNYYGAJ-UHFFFAOYSA-N 1 2 193.275 2.005 20 0 AEADLO c1ccc(NC[C@H]2CCCS2)[nH+]c1 87475457 343661006 /nfs/dbraw/zinc/66/10/06/343661006.db2.gz HBEDAZZUONRSEY-SECBINFHSA-N 1 2 194.303 2.389 20 0 AEADLO c1ccc(NC[C@@H]2CCCS2)[nH+]c1 87475454 343661401 /nfs/dbraw/zinc/66/14/01/343661401.db2.gz HBEDAZZUONRSEY-VIFPVBQESA-N 1 2 194.303 2.389 20 0 AEADLO CC(C)Cc1cc(N)nc(C2CC2)[nH+]1 87524393 343661958 /nfs/dbraw/zinc/66/19/58/343661958.db2.gz ONLVARUYDAQKDH-UHFFFAOYSA-N 1 2 191.278 2.135 20 0 AEADLO CN(C)c1ccc(C2CC2)c[nH+]1 91366421 343677859 /nfs/dbraw/zinc/67/78/59/343677859.db2.gz BJBLCBSSWLWCPO-UHFFFAOYSA-N 1 2 162.236 2.025 20 0 AEADLO Nc1ccc(-c2cccc(C=O)c2)c[nH+]1 95495495 343683743 /nfs/dbraw/zinc/68/37/43/343683743.db2.gz CFRDOZWZZFRVMF-UHFFFAOYSA-N 1 2 198.225 2.143 20 0 AEADLO Nc1ccc(-c2ccc(C=O)cc2)c[nH+]1 95495500 343683749 /nfs/dbraw/zinc/68/37/49/343683749.db2.gz DMMMBJMESXWDRH-UHFFFAOYSA-N 1 2 198.225 2.143 20 0 AEADLO Cc1ccc(N[C@@H]2CCSC2)c[nH+]1 96033376 343693783 /nfs/dbraw/zinc/69/37/83/343693783.db2.gz HLRLREOFOVSKNG-SNVBAGLBSA-N 1 2 194.303 2.307 20 0 AEADLO Cc1ccc(N[C@H]2CCSC2)c[nH+]1 96033377 343693853 /nfs/dbraw/zinc/69/38/53/343693853.db2.gz HLRLREOFOVSKNG-JTQLQIEISA-N 1 2 194.303 2.307 20 0 AEADLO CC[C@H](C)Sc1nc(N)cc(C)[nH+]1 96810274 343700923 /nfs/dbraw/zinc/70/09/23/343700923.db2.gz ZVSFYOSWLPQNJI-ZETCQYMHSA-N 1 2 197.307 2.258 20 0 AEADLO Cc1c(N)ccc2cc[nH+]cc12 98179110 343706078 /nfs/dbraw/zinc/70/60/78/343706078.db2.gz PXIVSHNDUWRSRC-UHFFFAOYSA-N 1 2 158.204 2.125 20 0 AEADLO C[C@H](c1cccc(O)c1)c1c[nH]c[nH+]1 104400680 343731663 /nfs/dbraw/zinc/73/16/63/343731663.db2.gz ILWZLMQPOUAOSN-MRVPVSSYSA-N 1 2 188.230 2.267 20 0 AEADLO C[C@H](c1c[nH]c[nH+]1)c1ccccc1O 104400939 343731666 /nfs/dbraw/zinc/73/16/66/343731666.db2.gz KOPRZBXDFZCSQX-QMMMGPOBSA-N 1 2 188.230 2.267 20 0 AEADLO Cc1cc(N)nc(SCC(C)C)[nH+]1 105831144 343737307 /nfs/dbraw/zinc/73/73/07/343737307.db2.gz BTUPKNKLMSQTQS-UHFFFAOYSA-N 1 2 197.307 2.115 20 0 AEADLO C[C@H]1C[C@H]1CNc1cccc[nH+]1 122791888 343781163 /nfs/dbraw/zinc/78/11/63/343781163.db2.gz ZPNCBXCSDHIEBX-IUCAKERBSA-N 1 2 162.236 2.150 20 0 AEADLO C[C@H]1C[C@@H]1CNc1cccc[nH+]1 122791539 343781366 /nfs/dbraw/zinc/78/13/66/343781366.db2.gz ZPNCBXCSDHIEBX-DTWKUNHWSA-N 1 2 162.236 2.150 20 0 AEADLO Cc1cc(NC[C@@H](C)C2CC2)nc[nH+]1 123137512 343781893 /nfs/dbraw/zinc/78/18/93/343781893.db2.gz GVJOHSSDPKFBGN-MRVPVSSYSA-N 1 2 191.278 2.243 20 0 AEADLO Cc1cc(NC[C@H](C)C2CC2)nc[nH+]1 123137726 343781942 /nfs/dbraw/zinc/78/19/42/343781942.db2.gz GVJOHSSDPKFBGN-QMMMGPOBSA-N 1 2 191.278 2.243 20 0 AEADLO Cc1ccc(CNc2cccc[nH+]2)nc1 124525629 343786981 /nfs/dbraw/zinc/78/69/81/343786981.db2.gz VLSVUUORPADNTJ-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO CSC[C@@H](C)Nc1cccc[nH+]1 124747795 343787670 /nfs/dbraw/zinc/78/76/70/343787670.db2.gz KFUVKURYWVPWFI-MRVPVSSYSA-N 1 2 182.292 2.245 20 0 AEADLO Cc1c[nH+]cc(NCc2cccnc2)c1 125084276 343788908 /nfs/dbraw/zinc/78/89/08/343788908.db2.gz QJKNFTPJKGYIID-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1c[nH+]cc(NCc2cc[nH]c2)c1 125084048 343788991 /nfs/dbraw/zinc/78/89/91/343788991.db2.gz HGZXTFHYKPOLGX-UHFFFAOYSA-N 1 2 187.246 2.330 20 0 AEADLO Cc1c[nH+]cc(NCc2ccccn2)c1 125091183 343789208 /nfs/dbraw/zinc/78/92/08/343789208.db2.gz CMIJLADKVJOBHB-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1nc(NC[C@H](C)C2CC2)cc[nH+]1 127169948 343806151 /nfs/dbraw/zinc/80/61/51/343806151.db2.gz YEOZNVSYFFKSCA-QMMMGPOBSA-N 1 2 191.278 2.243 20 0 AEADLO Cc1nc(NC[C@@H](C)C2CC2)cc[nH+]1 127169754 343806292 /nfs/dbraw/zinc/80/62/92/343806292.db2.gz YEOZNVSYFFKSCA-MRVPVSSYSA-N 1 2 191.278 2.243 20 0 AEADLO Cc1c[nH+]cc(NCC(C)C)c1 127770271 343819014 /nfs/dbraw/zinc/81/90/14/343819014.db2.gz IODARLGBZDNFQF-UHFFFAOYSA-N 1 2 164.252 2.458 20 0 AEADLO Cc1cc(N[C@@H]2CC[C@H](C)C2)nc[nH+]1 129602995 343853708 /nfs/dbraw/zinc/85/37/08/343853708.db2.gz KYQWCMSAJNREMJ-WCBMZHEXSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1cc(N[C@H]2CC[C@@H](C)C2)nc[nH+]1 129603638 343853806 /nfs/dbraw/zinc/85/38/06/343853806.db2.gz KYQWCMSAJNREMJ-SCZZXKLOSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@@H]2CC[C@H](C)C2)cc[nH+]1 129621240 343854146 /nfs/dbraw/zinc/85/41/46/343854146.db2.gz GFABLXGTBICJPR-WCBMZHEXSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@H]2CC[C@H](C)C2)cc[nH+]1 129621448 343854229 /nfs/dbraw/zinc/85/42/29/343854229.db2.gz GFABLXGTBICJPR-WPRPVWTQSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@H]2CC[C@@H](C)C2)cc[nH+]1 129621885 343854253 /nfs/dbraw/zinc/85/42/53/343854253.db2.gz GFABLXGTBICJPR-SCZZXKLOSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@@H]2CC[C@@H](C)C2)cc[nH+]1 129621643 343854257 /nfs/dbraw/zinc/85/42/57/343854257.db2.gz GFABLXGTBICJPR-PSASIEDQSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1cc(NCCC2CCC2)nc[nH+]1 130318165 343866839 /nfs/dbraw/zinc/86/68/39/343866839.db2.gz KVSNOSOBPINJRY-UHFFFAOYSA-N 1 2 191.278 2.387 20 0 AEADLO COc1ccc[nH+]c1NC1CC=CC1 133349289 343917018 /nfs/dbraw/zinc/91/70/18/343917018.db2.gz YMWQFEYRVVDFLN-UHFFFAOYSA-N 1 2 190.246 2.221 20 0 AEADLO Cc1c[nH+]cc(N[C@H]2CCSC2)c1 134340733 343940488 /nfs/dbraw/zinc/94/04/88/343940488.db2.gz MRQQXZGJOFNMKL-VIFPVBQESA-N 1 2 194.303 2.307 20 0 AEADLO [NH2+]=C1Cc2ccccc2S1 139411325 343994227 /nfs/dbraw/zinc/99/42/27/343994227.db2.gz YAFOBYMLYYJHJK-UHFFFAOYSA-N 1 2 149.218 2.312 20 0 AEADLO CC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 141697851 344007800 /nfs/dbraw/zinc/00/78/00/344007800.db2.gz ZMYBXEKQYDPJBH-UHFFFAOYSA-N 1 2 186.214 2.279 20 0 AEADLO CC(C)CC[N@H+](C)CC(F)F 143291600 344018197 /nfs/dbraw/zinc/01/81/97/344018197.db2.gz YAPAOMYTFFDZEU-UHFFFAOYSA-N 1 2 165.227 2.229 20 0 AEADLO CC(C)CC[N@@H+](C)CC(F)F 143291600 344018201 /nfs/dbraw/zinc/01/82/01/344018201.db2.gz YAPAOMYTFFDZEU-UHFFFAOYSA-N 1 2 165.227 2.229 20 0 AEADLO Cc1ccc2c(N)ccc(C)c2[nH+]1 145856193 344036761 /nfs/dbraw/zinc/03/67/61/344036761.db2.gz KLPDUYNQDYXULU-UHFFFAOYSA-N 1 2 172.231 2.434 20 0 AEADLO C[C@H]1CCCN1c1cccc[nH+]1 148984524 344061028 /nfs/dbraw/zinc/06/10/28/344061028.db2.gz GPBKCBFOEJNCRL-VIFPVBQESA-N 1 2 162.236 2.070 20 0 AEADLO CC(C)SCCn1cc[nH+]c1 149451859 344065845 /nfs/dbraw/zinc/06/58/45/344065845.db2.gz NWYYFRJSRXLHPT-UHFFFAOYSA-N 1 2 170.281 2.025 20 0 AEADLO Cc1cccc2[nH+]c(N)ccc12 149992994 344074940 /nfs/dbraw/zinc/07/49/40/344074940.db2.gz AZPCOPGTULJUBK-UHFFFAOYSA-N 1 2 158.204 2.125 20 0 AEADLO CC[C@@H]1CCC[N@H+](CC(F)F)C1 150133847 344077371 /nfs/dbraw/zinc/07/73/71/344077371.db2.gz BSUHFZJELJSBEX-MRVPVSSYSA-N 1 2 177.238 2.374 20 0 AEADLO CC[C@@H]1CCC[N@@H+](CC(F)F)C1 150133847 344077374 /nfs/dbraw/zinc/07/73/74/344077374.db2.gz BSUHFZJELJSBEX-MRVPVSSYSA-N 1 2 177.238 2.374 20 0 AEADLO c1ccc(NCc2cncs2)[nH+]c1 157877883 344115962 /nfs/dbraw/zinc/11/59/62/344115962.db2.gz KDIOTILLDCJXFD-UHFFFAOYSA-N 1 2 191.259 2.150 20 0 AEADLO Cc1cc(N)nc(SC2CCC2)[nH+]1 160217760 344160037 /nfs/dbraw/zinc/16/00/37/344160037.db2.gz URKQNGLHZKZRHY-UHFFFAOYSA-N 1 2 195.291 2.012 20 0 AEADLO Cc1ccncc1CNc1cccc[nH+]1 163031627 344218781 /nfs/dbraw/zinc/21/87/81/344218781.db2.gz WTHLIGQVOSKXDW-UHFFFAOYSA-N 1 2 199.257 2.397 20 0 AEADLO Cc1ccc(F)cc1Cn1cc[nH+]c1 163943443 344233683 /nfs/dbraw/zinc/23/36/83/344233683.db2.gz YSVCGCRCEKYSAK-UHFFFAOYSA-N 1 2 190.221 2.379 20 0 AEADLO Cc1cc(F)ccc1Cn1cc[nH+]c1 164152764 344238560 /nfs/dbraw/zinc/23/85/60/344238560.db2.gz BGLZACGFIIOUPO-UHFFFAOYSA-N 1 2 190.221 2.379 20 0 AEADLO CC(C)CN(C)c1cccc[nH+]1 166786474 344289272 /nfs/dbraw/zinc/28/92/72/344289272.db2.gz VHNXTNLPFQHSAX-UHFFFAOYSA-N 1 2 164.252 2.174 20 0 AEADLO COc1ccc[nH+]c1NC[C@@H]1C[C@H]1C 167122246 344297710 /nfs/dbraw/zinc/29/77/10/344297710.db2.gz CENJFONJEKCAPR-BDAKNGLRSA-N 1 2 192.262 2.158 20 0 AEADLO COc1ccc[nH+]c1NC[C@H]1C[C@H]1C 167122040 344297838 /nfs/dbraw/zinc/29/78/38/344297838.db2.gz CENJFONJEKCAPR-RKDXNWHRSA-N 1 2 192.262 2.158 20 0 AEADLO COc1ccc[nH+]c1NC[C@@H]1C[C@@H]1C 167122329 344297877 /nfs/dbraw/zinc/29/78/77/344297877.db2.gz CENJFONJEKCAPR-IUCAKERBSA-N 1 2 192.262 2.158 20 0 AEADLO COc1ccc[nH+]c1NC[C@H]1C[C@@H]1C 167122146 344297909 /nfs/dbraw/zinc/29/79/09/344297909.db2.gz CENJFONJEKCAPR-DTWKUNHWSA-N 1 2 192.262 2.158 20 0 AEADLO CN(Cc1cccnc1)c1cccc[nH+]1 199797112 344361912 /nfs/dbraw/zinc/36/19/12/344361912.db2.gz TUHCXUVUPDBIDT-UHFFFAOYSA-N 1 2 199.257 2.113 20 0 AEADLO CCOc1cccc(-n2cc[nH+]c2)c1 199959408 344362315 /nfs/dbraw/zinc/36/23/15/344362315.db2.gz GXHBVXSTDCKHHP-UHFFFAOYSA-N 1 2 188.230 2.271 20 0 AEADLO Fc1ccccc1CCn1cc[nH+]c1 199993573 344362535 /nfs/dbraw/zinc/36/25/35/344362535.db2.gz CSNXXNAMFKPNNN-UHFFFAOYSA-N 1 2 190.221 2.265 20 0 AEADLO CC(C)COc1cc[nH+]cc1 201022134 344364240 /nfs/dbraw/zinc/36/42/40/344364240.db2.gz HSEBZKOBMWQQLR-UHFFFAOYSA-N 1 2 151.209 2.116 20 0 AEADLO CCc1cccc(Cn2cc[nH+]c2)c1 204862177 344370116 /nfs/dbraw/zinc/37/01/16/344370116.db2.gz FDZPICXEHUYYMF-UHFFFAOYSA-N 1 2 186.258 2.494 20 0 AEADLO CC[C@H]1CCC[N@H+](CC(F)F)C1 208836978 344376540 /nfs/dbraw/zinc/37/65/40/344376540.db2.gz BSUHFZJELJSBEX-QMMMGPOBSA-N 1 2 177.238 2.374 20 0 AEADLO CC[C@H]1CCC[N@@H+](CC(F)F)C1 208836978 344376542 /nfs/dbraw/zinc/37/65/42/344376542.db2.gz BSUHFZJELJSBEX-QMMMGPOBSA-N 1 2 177.238 2.374 20 0 AEADLO CCc1ccccc1Cn1cc[nH+]c1 219716351 344427449 /nfs/dbraw/zinc/42/74/49/344427449.db2.gz YOUUJERBXYNQGJ-UHFFFAOYSA-N 1 2 186.258 2.494 20 0 AEADLO CCCCN(C)c1cc(C)[nH+]cn1 221849712 344446737 /nfs/dbraw/zinc/44/67/37/344446737.db2.gz ZCYLVJPFFUSENR-UHFFFAOYSA-N 1 2 179.267 2.021 20 0 AEADLO Cc1cc(N(C)CCC(C)C)nc[nH+]1 223672721 344461499 /nfs/dbraw/zinc/46/14/99/344461499.db2.gz AXSBQWCPZVCTDX-UHFFFAOYSA-N 1 2 193.294 2.267 20 0 AEADLO Cc1cc(N2CCC(C)CC2)nc[nH+]1 223673052 344462073 /nfs/dbraw/zinc/46/20/73/344462073.db2.gz UJLKGQUVLLWGBK-UHFFFAOYSA-N 1 2 191.278 2.021 20 0 AEADLO CC(C)c1nc(N2CCCC2)cc[nH+]1 224172488 344467058 /nfs/dbraw/zinc/46/70/58/344467058.db2.gz UDWOYJKBDOBPHA-UHFFFAOYSA-N 1 2 191.278 2.200 20 0 AEADLO COCCCCCNc1cccc[nH+]1 224297911 344468068 /nfs/dbraw/zinc/46/80/68/344468068.db2.gz JZGZSSFNVMLNSA-UHFFFAOYSA-N 1 2 194.278 2.310 20 0 AEADLO CCC[C@@](C)(O)CNc1cccc[nH+]1 226232339 344495426 /nfs/dbraw/zinc/49/54/26/344495426.db2.gz VSKRJHPFQKBAGP-LLVKDONJSA-N 1 2 194.278 2.045 20 0 AEADLO CCC[C@](C)(O)CNc1cccc[nH+]1 226232346 344495683 /nfs/dbraw/zinc/49/56/83/344495683.db2.gz VSKRJHPFQKBAGP-NSHDSACASA-N 1 2 194.278 2.045 20 0 AEADLO c1ccc(NC[C@@H]2CCSC2)[nH+]c1 226374895 344500889 /nfs/dbraw/zinc/50/08/89/344500889.db2.gz VQEXUGBWRPIZML-VIFPVBQESA-N 1 2 194.303 2.247 20 0 AEADLO c1ccc(NC[C@H]2CCSC2)[nH+]c1 226374902 344500930 /nfs/dbraw/zinc/50/09/30/344500930.db2.gz VQEXUGBWRPIZML-SECBINFHSA-N 1 2 194.303 2.247 20 0 AEADLO Cc1cc(NC[C@H]2CC2(C)C)nc[nH+]1 226389195 344501210 /nfs/dbraw/zinc/50/12/10/344501210.db2.gz JIDLMUADUPKSEF-SECBINFHSA-N 1 2 191.278 2.243 20 0 AEADLO Cc1cc(NC[C@@H]2CC2(C)C)nc[nH+]1 226389191 344501316 /nfs/dbraw/zinc/50/13/16/344501316.db2.gz JIDLMUADUPKSEF-VIFPVBQESA-N 1 2 191.278 2.243 20 0 AEADLO COC1(CNc2cccc[nH+]2)CCC1 227304090 344528187 /nfs/dbraw/zinc/52/81/87/344528187.db2.gz PDLNXDAKOANXEA-UHFFFAOYSA-N 1 2 192.262 2.063 20 0 AEADLO Cc1c[nH+]cc(NCC2CC2)c1 227603768 344536734 /nfs/dbraw/zinc/53/67/34/344536734.db2.gz WJSNWAJHDIXSPW-UHFFFAOYSA-N 1 2 162.236 2.212 20 0 AEADLO CSC1(CNc2cccc[nH+]2)CC1 227990431 344554415 /nfs/dbraw/zinc/55/44/15/344554415.db2.gz URVIFANPFDDINI-UHFFFAOYSA-N 1 2 194.303 2.389 20 0 AEADLO CCc1cc(NC2(C)CC2)nc[nH+]1 228884284 344573695 /nfs/dbraw/zinc/57/36/95/344573695.db2.gz UKAMIFQUCYWZJD-UHFFFAOYSA-N 1 2 177.251 2.003 20 0 AEADLO Cc1nc(NC[C@@H]2CC2(C)C)cc[nH+]1 230905420 344644865 /nfs/dbraw/zinc/64/48/65/344644865.db2.gz QDHVVAPAZBJUGA-VIFPVBQESA-N 1 2 191.278 2.243 20 0 AEADLO Cc1nc(NC[C@H]2CC2(C)C)cc[nH+]1 230905423 344644905 /nfs/dbraw/zinc/64/49/05/344644905.db2.gz QDHVVAPAZBJUGA-SECBINFHSA-N 1 2 191.278 2.243 20 0 AEADLO CCC[C@@H]1C[C@H]1Nc1cc(C)[nH+]cn1 231662441 344656469 /nfs/dbraw/zinc/65/64/69/344656469.db2.gz OUTXVBKTQKXIJO-NXEZZACHSA-N 1 2 191.278 2.386 20 0 AEADLO CC(C)=CCNc1cc(C)[nH+]cn1 232636886 344686777 /nfs/dbraw/zinc/68/67/77/344686777.db2.gz LDLFEBRHEMEKOO-UHFFFAOYSA-N 1 2 177.251 2.163 20 0 AEADLO c1cncc(-c2cn3c([nH+]2)CCCC3)c1 258372299 344944110 /nfs/dbraw/zinc/94/41/10/344944110.db2.gz MIRXLDDLUSSNJK-UHFFFAOYSA-N 1 2 199.257 2.281 20 0 AEADLO CCc1cc(N)nc(SC(C)C)[nH+]1 306155701 345046320 /nfs/dbraw/zinc/04/63/20/345046320.db2.gz BRISHJQIADVXTO-UHFFFAOYSA-N 1 2 197.307 2.122 20 0 AEADLO CCc1ccc2c[nH+]ccc2c1N 306178627 345069509 /nfs/dbraw/zinc/06/95/09/345069509.db2.gz SYLYLLFNDZSYLS-UHFFFAOYSA-N 1 2 172.231 2.379 20 0 AEADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H]1C 306207869 345096994 /nfs/dbraw/zinc/09/69/94/345096994.db2.gz RDYHAEQPBSHLOE-IUCAKERBSA-N 1 2 192.262 2.301 20 0 AEADLO COc1ccc[nH+]c1N[C@H]1CC[C@H]1C 306207865 345097034 /nfs/dbraw/zinc/09/70/34/345097034.db2.gz RDYHAEQPBSHLOE-BDAKNGLRSA-N 1 2 192.262 2.301 20 0 AEADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H]1C 306207867 345097039 /nfs/dbraw/zinc/09/70/39/345097039.db2.gz RDYHAEQPBSHLOE-DTWKUNHWSA-N 1 2 192.262 2.301 20 0 AEADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H]1C 306207870 345097153 /nfs/dbraw/zinc/09/71/53/345097153.db2.gz RDYHAEQPBSHLOE-RKDXNWHRSA-N 1 2 192.262 2.301 20 0 AEADLO CCCCc1[nH+]c(C)ccc1N 306224370 345116995 /nfs/dbraw/zinc/11/69/95/345116995.db2.gz DHAYNGRYBVPTAV-UHFFFAOYSA-N 1 2 164.252 2.315 20 0 AEADLO C[C@H]1CC[N@H+](CC(F)F)C[C@@H]1C 306225469 345118852 /nfs/dbraw/zinc/11/88/52/345118852.db2.gz FYOQYPJRZZAHEO-YUMQZZPRSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@H]1CC[N@@H+](CC(F)F)C[C@@H]1C 306225469 345118854 /nfs/dbraw/zinc/11/88/54/345118854.db2.gz FYOQYPJRZZAHEO-YUMQZZPRSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@@H]1CC[N@H+](CC(F)F)C[C@@H]1C 306225467 345118874 /nfs/dbraw/zinc/11/88/74/345118874.db2.gz FYOQYPJRZZAHEO-SFYZADRCSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@@H]1CC[N@@H+](CC(F)F)C[C@@H]1C 306225467 345118875 /nfs/dbraw/zinc/11/88/75/345118875.db2.gz FYOQYPJRZZAHEO-SFYZADRCSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@H]1CC[N@H+](CC(F)F)C[C@H]1C 306225466 345119011 /nfs/dbraw/zinc/11/90/11/345119011.db2.gz FYOQYPJRZZAHEO-JGVFFNPUSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@H]1CC[N@@H+](CC(F)F)C[C@H]1C 306225466 345119012 /nfs/dbraw/zinc/11/90/12/345119012.db2.gz FYOQYPJRZZAHEO-JGVFFNPUSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@@H]1C[N@@H+](CC(F)F)CC[C@H]1C 306225464 345119055 /nfs/dbraw/zinc/11/90/55/345119055.db2.gz FYOQYPJRZZAHEO-HTQZYQBOSA-N 1 2 177.238 2.229 20 0 AEADLO C[C@@H]1C[N@H+](CC(F)F)CC[C@H]1C 306225464 345119056 /nfs/dbraw/zinc/11/90/56/345119056.db2.gz FYOQYPJRZZAHEO-HTQZYQBOSA-N 1 2 177.238 2.229 20 0 AEADLO CC(C)(C)CNc1ccc(CO)c[nH+]1 306234798 345128259 /nfs/dbraw/zinc/12/82/59/345128259.db2.gz NYEDQNAGIIYIDM-UHFFFAOYSA-N 1 2 194.278 2.032 20 0 AEADLO Cc1nc(N2CCCCCC2)cc[nH+]1 306240914 345133911 /nfs/dbraw/zinc/13/39/11/345133911.db2.gz LTFZECHLRKLARU-UHFFFAOYSA-N 1 2 191.278 2.165 20 0 AEADLO CC1=CC[N@H+](Cc2nccs2)CC1 306259593 345150431 /nfs/dbraw/zinc/15/04/31/345150431.db2.gz JMSLZCZHLDGEOR-UHFFFAOYSA-N 1 2 194.303 2.295 20 0 AEADLO CC1=CC[N@@H+](Cc2nccs2)CC1 306259593 345150433 /nfs/dbraw/zinc/15/04/33/345150433.db2.gz JMSLZCZHLDGEOR-UHFFFAOYSA-N 1 2 194.303 2.295 20 0 AEADLO CC1=CCC[N@H+](Cc2cscn2)C1 306290818 345172899 /nfs/dbraw/zinc/17/28/99/345172899.db2.gz RDZJCITYDQDPPL-UHFFFAOYSA-N 1 2 194.303 2.295 20 0 AEADLO CC1=CCC[N@@H+](Cc2cscn2)C1 306290818 345172901 /nfs/dbraw/zinc/17/29/01/345172901.db2.gz RDZJCITYDQDPPL-UHFFFAOYSA-N 1 2 194.303 2.295 20 0 AEADLO Cc1cc(N[C@@H]2CCC[C@@H]2F)nc[nH+]1 306306067 345185856 /nfs/dbraw/zinc/18/58/56/345185856.db2.gz PQKNWIPFPQUGBT-DTWKUNHWSA-N 1 2 195.241 2.088 20 0 AEADLO C[C@H]1CC[N@H+](CCCF)CC1(F)F 306324330 345202211 /nfs/dbraw/zinc/20/22/11/345202211.db2.gz VXUOBWQMYLNKJR-QMMMGPOBSA-N 1 2 195.228 2.323 20 0 AEADLO C[C@H]1CC[N@@H+](CCCF)CC1(F)F 306324330 345202213 /nfs/dbraw/zinc/20/22/13/345202213.db2.gz VXUOBWQMYLNKJR-QMMMGPOBSA-N 1 2 195.228 2.323 20 0 AEADLO Clc1nc(Cn2cc[nH+]c2)cs1 306389600 345253170 /nfs/dbraw/zinc/25/31/70/345253170.db2.gz ZCKNFXKTXZEBSP-UHFFFAOYSA-N 1 2 199.666 2.041 20 0 AEADLO CC[C@@H](F)C[N@@H+]1CCC=C(F)C1 306418207 345275974 /nfs/dbraw/zinc/27/59/74/345275974.db2.gz UVNXFPWNVZSUQG-MRVPVSSYSA-N 1 2 175.222 2.294 20 0 AEADLO CC[C@@H](F)C[N@H+]1CCC=C(F)C1 306418207 345275976 /nfs/dbraw/zinc/27/59/76/345275976.db2.gz UVNXFPWNVZSUQG-MRVPVSSYSA-N 1 2 175.222 2.294 20 0 AEADLO CC[C@H](F)C[N@@H+]1CCC=C(F)C1 306418208 345275990 /nfs/dbraw/zinc/27/59/90/345275990.db2.gz UVNXFPWNVZSUQG-QMMMGPOBSA-N 1 2 175.222 2.294 20 0 AEADLO CC[C@H](F)C[N@H+]1CCC=C(F)C1 306418208 345275992 /nfs/dbraw/zinc/27/59/92/345275992.db2.gz UVNXFPWNVZSUQG-QMMMGPOBSA-N 1 2 175.222 2.294 20 0 AEADLO C[N@H+](Cc1cscn1)[C@H]1CC1(C)C 306445209 345305151 /nfs/dbraw/zinc/30/51/51/345305151.db2.gz QCABRVFBHIVBRI-VIFPVBQESA-N 1 2 196.319 2.373 20 0 AEADLO C[N@@H+](Cc1cscn1)[C@H]1CC1(C)C 306445209 345305152 /nfs/dbraw/zinc/30/51/52/345305152.db2.gz QCABRVFBHIVBRI-VIFPVBQESA-N 1 2 196.319 2.373 20 0 AEADLO C[N@H+](Cc1cscn1)[C@@H]1CC1(C)C 306445208 345305286 /nfs/dbraw/zinc/30/52/86/345305286.db2.gz QCABRVFBHIVBRI-SECBINFHSA-N 1 2 196.319 2.373 20 0 AEADLO C[N@@H+](Cc1cscn1)[C@@H]1CC1(C)C 306445208 345305290 /nfs/dbraw/zinc/30/52/90/345305290.db2.gz QCABRVFBHIVBRI-SECBINFHSA-N 1 2 196.319 2.373 20 0 AEADLO Fc1c[nH+]ccc1N1CCCCC1 306448134 345308102 /nfs/dbraw/zinc/30/81/02/345308102.db2.gz WLUIBEZXFHPOFO-UHFFFAOYSA-N 1 2 180.226 2.211 20 0 AEADLO Cc1ccc(NC[C@@H]2C[C@@H]2C)c[nH+]1 306454794 345314416 /nfs/dbraw/zinc/31/44/16/345314416.db2.gz PVBPIMANRDPBPW-WPRPVWTQSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1ccc(NC[C@H]2C[C@@H]2C)c[nH+]1 306454793 345314552 /nfs/dbraw/zinc/31/45/52/345314552.db2.gz PVBPIMANRDPBPW-WCBMZHEXSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1ccc(NC[C@H]2C[C@H]2C)c[nH+]1 306454791 345314656 /nfs/dbraw/zinc/31/46/56/345314656.db2.gz PVBPIMANRDPBPW-PSASIEDQSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1ccc(NC[C@@H]2C[C@H]2C)c[nH+]1 306454792 345314694 /nfs/dbraw/zinc/31/46/94/345314694.db2.gz PVBPIMANRDPBPW-SCZZXKLOSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1cc(NC(C)C)nc(C2CC2)[nH+]1 306491478 345364057 /nfs/dbraw/zinc/36/40/57/345364057.db2.gz NLQFNAKYGMGVJR-UHFFFAOYSA-N 1 2 191.278 2.483 20 0 AEADLO Cc1nc(N[C@@H]2CC[C@@H](F)C2)cc[nH+]1 306508938 345381404 /nfs/dbraw/zinc/38/14/04/345381404.db2.gz AXEDOOFMRROQSO-RKDXNWHRSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1nc(N[C@H]2CC[C@@H](F)C2)cc[nH+]1 306508928 345381407 /nfs/dbraw/zinc/38/14/07/345381407.db2.gz AXEDOOFMRROQSO-BDAKNGLRSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1nc(N[C@H]2CC[C@H](F)C2)cc[nH+]1 306508935 345381467 /nfs/dbraw/zinc/38/14/67/345381467.db2.gz AXEDOOFMRROQSO-IUCAKERBSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1nc(N[C@@H]2CC[C@H](F)C2)cc[nH+]1 306508931 345381556 /nfs/dbraw/zinc/38/15/56/345381556.db2.gz AXEDOOFMRROQSO-DTWKUNHWSA-N 1 2 195.241 2.088 20 0 AEADLO C[C@@H]1SCC[C@@H]1Nc1cccc[nH+]1 306545865 345419830 /nfs/dbraw/zinc/41/98/30/345419830.db2.gz WFPZJUJEZORFSL-IUCAKERBSA-N 1 2 194.303 2.388 20 0 AEADLO C[C@H]1SCC[C@H]1Nc1cccc[nH+]1 306545867 345420045 /nfs/dbraw/zinc/42/00/45/345420045.db2.gz WFPZJUJEZORFSL-RKDXNWHRSA-N 1 2 194.303 2.388 20 0 AEADLO C[C@@H]1SCC[C@H]1Nc1cccc[nH+]1 306545863 345420056 /nfs/dbraw/zinc/42/00/56/345420056.db2.gz WFPZJUJEZORFSL-DTWKUNHWSA-N 1 2 194.303 2.388 20 0 AEADLO C[C@H]1SCC[C@@H]1Nc1cccc[nH+]1 306545861 345420082 /nfs/dbraw/zinc/42/00/82/345420082.db2.gz WFPZJUJEZORFSL-BDAKNGLRSA-N 1 2 194.303 2.388 20 0 AEADLO CC1(C[N@@H+]2CCC(F)(F)C2)CC1 306595701 345472472 /nfs/dbraw/zinc/47/24/72/345472472.db2.gz LLCRNEDTGHYTLL-UHFFFAOYSA-N 1 2 175.222 2.128 20 0 AEADLO CC1(C[N@H+]2CCC(F)(F)C2)CC1 306595701 345472474 /nfs/dbraw/zinc/47/24/74/345472474.db2.gz LLCRNEDTGHYTLL-UHFFFAOYSA-N 1 2 175.222 2.128 20 0 AEADLO CN(CC1CCC1)c1cccc[nH+]1 306619135 345492633 /nfs/dbraw/zinc/49/26/33/345492633.db2.gz ULIPCQZWAPTNGE-UHFFFAOYSA-N 1 2 176.263 2.318 20 0 AEADLO Cc1cc(N[C@@H]2CC[C@H](F)C2)nc[nH+]1 306674974 345536919 /nfs/dbraw/zinc/53/69/19/345536919.db2.gz RQHJPXFEMXMBHL-DTWKUNHWSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1cc(N[C@H]2CC[C@@H](F)C2)nc[nH+]1 306674973 345537080 /nfs/dbraw/zinc/53/70/80/345537080.db2.gz RQHJPXFEMXMBHL-BDAKNGLRSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1cc(N[C@@H]2CC[C@@H](F)C2)nc[nH+]1 306674976 345537121 /nfs/dbraw/zinc/53/71/21/345537121.db2.gz RQHJPXFEMXMBHL-RKDXNWHRSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1cc(N[C@H]2CC[C@H](F)C2)nc[nH+]1 306674975 345537131 /nfs/dbraw/zinc/53/71/31/345537131.db2.gz RQHJPXFEMXMBHL-IUCAKERBSA-N 1 2 195.241 2.088 20 0 AEADLO FC(F)C[NH+]1CCCCCC1 306759698 345595882 /nfs/dbraw/zinc/59/58/82/345595882.db2.gz WXRJYKNSXPYUGC-UHFFFAOYSA-N 1 2 163.211 2.128 20 0 AEADLO Cc1nc(N[C@H]2CCC[C@H]2F)cc[nH+]1 306784037 345611795 /nfs/dbraw/zinc/61/17/95/345611795.db2.gz HJCYUXATYIFGAS-BDAKNGLRSA-N 1 2 195.241 2.088 20 0 AEADLO CC(C)CNc1cc(F)cc[nH+]1 306797052 345620980 /nfs/dbraw/zinc/62/09/80/345620980.db2.gz AGBFRKZVXMKCJS-UHFFFAOYSA-N 1 2 168.215 2.289 20 0 AEADLO CC(C)CNc1cc[nH+]cc1F 306923758 345700695 /nfs/dbraw/zinc/70/06/95/345700695.db2.gz GTXRUTRQIRLPOI-UHFFFAOYSA-N 1 2 168.215 2.289 20 0 AEADLO CN(c1cc[nH+]cc1F)C1CCC1 306961222 345720531 /nfs/dbraw/zinc/72/05/31/345720531.db2.gz AORLKCIEOTZANK-UHFFFAOYSA-N 1 2 180.226 2.209 20 0 AEADLO CC1(C)CCN(c2cccc[nH+]2)C1 306961148 345720609 /nfs/dbraw/zinc/72/06/09/345720609.db2.gz DSJKFTGWWQUUOK-UHFFFAOYSA-N 1 2 176.263 2.318 20 0 AEADLO CC[C@H]1CCN(c2cccc[nH+]2)C1 307009911 345750043 /nfs/dbraw/zinc/75/00/43/345750043.db2.gz IJTKLFPBVIMSGW-JTQLQIEISA-N 1 2 176.263 2.318 20 0 AEADLO CC1=CC[N@H+](Cc2cscn2)CC1 307013275 345752522 /nfs/dbraw/zinc/75/25/22/345752522.db2.gz LRRQSLNIGOVBJR-UHFFFAOYSA-N 1 2 194.303 2.295 20 0 AEADLO CC1=CC[N@@H+](Cc2cscn2)CC1 307013275 345752526 /nfs/dbraw/zinc/75/25/26/345752526.db2.gz LRRQSLNIGOVBJR-UHFFFAOYSA-N 1 2 194.303 2.295 20 0 AEADLO Cc1nc(N[C@@H]2CCC2(C)C)cc[nH+]1 307025529 345762304 /nfs/dbraw/zinc/76/23/04/345762304.db2.gz JPKFPPQESGIPJY-SECBINFHSA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@H]2CCC2(C)C)cc[nH+]1 307025530 345762311 /nfs/dbraw/zinc/76/23/11/345762311.db2.gz JPKFPPQESGIPJY-VIFPVBQESA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@@H]2CCC[C@@H]2F)cc[nH+]1 307071930 345793598 /nfs/dbraw/zinc/79/35/98/345793598.db2.gz HJCYUXATYIFGAS-DTWKUNHWSA-N 1 2 195.241 2.088 20 0 AEADLO Cc1cc(N[C@H]2C=CCCC2)nc[nH+]1 307077198 345796438 /nfs/dbraw/zinc/79/64/38/345796438.db2.gz GGHZAZWZSAOISY-JTQLQIEISA-N 1 2 189.262 2.306 20 0 AEADLO Cc1cc(N[C@@H]2C=CCCC2)nc[nH+]1 307077643 345796961 /nfs/dbraw/zinc/79/69/61/345796961.db2.gz GGHZAZWZSAOISY-SNVBAGLBSA-N 1 2 189.262 2.306 20 0 AEADLO Cc1[nH+]cccc1NC[C@@H]1C[C@H]1C 307130058 345827293 /nfs/dbraw/zinc/82/72/93/345827293.db2.gz KLUSZZNVSGGOSP-SCZZXKLOSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1[nH+]cccc1NC[C@H]1C[C@H]1C 307130056 345827388 /nfs/dbraw/zinc/82/73/88/345827388.db2.gz KLUSZZNVSGGOSP-PSASIEDQSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1[nH+]cccc1NC[C@@H]1C[C@@H]1C 307130061 345827481 /nfs/dbraw/zinc/82/74/81/345827481.db2.gz KLUSZZNVSGGOSP-WPRPVWTQSA-N 1 2 176.263 2.458 20 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/nfs/dbraw/zinc/99/57/83/345995783.db2.gz JDIXLCCVBMKEKC-VIFPVBQESA-N 1 2 191.278 2.386 20 0 AEADLO Cc1nc(N[C@H]2C=CCCC2)cc[nH+]1 307372917 346002003 /nfs/dbraw/zinc/00/20/03/346002003.db2.gz RJWRUJUMTXGACD-JTQLQIEISA-N 1 2 189.262 2.306 20 0 AEADLO Cc1nc(N[C@@H]2C=CCCC2)cc[nH+]1 307372918 346002158 /nfs/dbraw/zinc/00/21/58/346002158.db2.gz RJWRUJUMTXGACD-SNVBAGLBSA-N 1 2 189.262 2.306 20 0 AEADLO C[C@@H]1SCC[N@H+](CC(F)F)[C@H]1C 307387513 346010050 /nfs/dbraw/zinc/01/00/50/346010050.db2.gz CZVARTOMODUZTJ-BQBZGAKWSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@@H]1SCC[N@@H+](CC(F)F)[C@H]1C 307387513 346010052 /nfs/dbraw/zinc/01/00/52/346010052.db2.gz CZVARTOMODUZTJ-BQBZGAKWSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1SCC[N@H+](CC(F)F)[C@@H]1C 307387516 346010101 /nfs/dbraw/zinc/01/01/01/346010101.db2.gz CZVARTOMODUZTJ-RNFRBKRXSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1SCC[N@@H+](CC(F)F)[C@@H]1C 307387516 346010102 /nfs/dbraw/zinc/01/01/02/346010102.db2.gz CZVARTOMODUZTJ-RNFRBKRXSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1[C@@H](C)SCC[N@@H+]1CC(F)F 307387515 346010118 /nfs/dbraw/zinc/01/01/18/346010118.db2.gz CZVARTOMODUZTJ-NKWVEPMBSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1[C@@H](C)SCC[N@H+]1CC(F)F 307387515 346010120 /nfs/dbraw/zinc/01/01/20/346010120.db2.gz CZVARTOMODUZTJ-NKWVEPMBSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@@H]1SCC[N@H+](CC(F)F)[C@@H]1C 307387518 346010245 /nfs/dbraw/zinc/01/02/45/346010245.db2.gz CZVARTOMODUZTJ-RQJHMYQMSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@@H]1SCC[N@@H+](CC(F)F)[C@@H]1C 307387518 346010247 /nfs/dbraw/zinc/01/02/47/346010247.db2.gz CZVARTOMODUZTJ-RQJHMYQMSA-N 1 2 195.278 2.077 20 0 AEADLO CC(C)c1nc(NC2CC2)cc[nH+]1 307404376 346021949 /nfs/dbraw/zinc/02/19/49/346021949.db2.gz DYVXORBKDWRIFP-UHFFFAOYSA-N 1 2 177.251 2.174 20 0 AEADLO C[C@H]1C[N@H+](CC(F)F)C[C@@H](C)S1 307445075 346044412 /nfs/dbraw/zinc/04/44/12/346044412.db2.gz OUKOVQDQCIPJCL-KNVOCYPGSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1C[N@@H+](CC(F)F)C[C@@H](C)S1 307445075 346044413 /nfs/dbraw/zinc/04/44/13/346044413.db2.gz OUKOVQDQCIPJCL-KNVOCYPGSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@@H]1C[NH+](CC(F)F)C[C@@H](C)S1 307445079 346044477 /nfs/dbraw/zinc/04/44/77/346044477.db2.gz OUKOVQDQCIPJCL-RNFRBKRXSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1C[NH+](CC(F)F)C[C@H](C)S1 307445065 346044614 /nfs/dbraw/zinc/04/46/14/346044614.db2.gz OUKOVQDQCIPJCL-BQBZGAKWSA-N 1 2 195.278 2.077 20 0 AEADLO C[C@H]1C[C@@H](Nc2cccc[nH+]2)CS1 307462613 346054905 /nfs/dbraw/zinc/05/49/05/346054905.db2.gz IEQFTVYETWLCQN-DTWKUNHWSA-N 1 2 194.303 2.388 20 0 AEADLO CC[C@H](C)N(C)c1cc[nH+]c(C)n1 307501861 346077781 /nfs/dbraw/zinc/07/77/81/346077781.db2.gz NPIRDNFYKXWIND-QMMMGPOBSA-N 1 2 179.267 2.020 20 0 AEADLO CCCC(=O)Nc1c(C)cc[nH+]c1C 307512919 346083904 /nfs/dbraw/zinc/08/39/04/346083904.db2.gz FGZTZSHAVYHDPH-UHFFFAOYSA-N 1 2 192.262 2.437 20 0 AEADLO C[C@]1(F)CCN(c2cccc[nH+]2)C1 307519721 346088273 /nfs/dbraw/zinc/08/82/73/346088273.db2.gz OEHWNAPLQSIFME-JTQLQIEISA-N 1 2 180.226 2.020 20 0 AEADLO C[C@@]1(F)CCN(c2cccc[nH+]2)C1 307519723 346088277 /nfs/dbraw/zinc/08/82/77/346088277.db2.gz OEHWNAPLQSIFME-SNVBAGLBSA-N 1 2 180.226 2.020 20 0 AEADLO C[C@H]1CSC[C@H]1Nc1cccc[nH+]1 307562987 346114576 /nfs/dbraw/zinc/11/45/76/346114576.db2.gz LZICPTHGFBBEFZ-DTWKUNHWSA-N 1 2 194.303 2.245 20 0 AEADLO Fc1c[nH+]ccc1NCC1CC1 307599557 346138655 /nfs/dbraw/zinc/13/86/55/346138655.db2.gz QDTKBPKYTWBJED-UHFFFAOYSA-N 1 2 166.199 2.043 20 0 AEADLO Cc1c[nH+]cc(NC[C@H]2C[C@@H]2C)c1 307610175 346144931 /nfs/dbraw/zinc/14/49/31/346144931.db2.gz FKXQAJTVKDVJHZ-VHSXEESVSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1c[nH+]cc(NC[C@@H]2C[C@H]2C)c1 307610176 346145031 /nfs/dbraw/zinc/14/50/31/346145031.db2.gz FKXQAJTVKDVJHZ-ZJUUUORDSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1c[nH+]cc(NC[C@H]2C[C@H]2C)c1 307610173 346145117 /nfs/dbraw/zinc/14/51/17/346145117.db2.gz FKXQAJTVKDVJHZ-NXEZZACHSA-N 1 2 176.263 2.458 20 0 AEADLO Cc1c[nH+]cc(NC[C@@H]2C[C@@H]2C)c1 307610174 346145122 /nfs/dbraw/zinc/14/51/22/346145122.db2.gz FKXQAJTVKDVJHZ-UWVGGRQHSA-N 1 2 176.263 2.458 20 0 AEADLO CC[N@H+](CC(F)F)C1CCC1 307621883 346153012 /nfs/dbraw/zinc/15/30/12/346153012.db2.gz KLODAFXWBFYAEV-UHFFFAOYSA-N 1 2 163.211 2.126 20 0 AEADLO CC[N@@H+](CC(F)F)C1CCC1 307621883 346153014 /nfs/dbraw/zinc/15/30/14/346153014.db2.gz KLODAFXWBFYAEV-UHFFFAOYSA-N 1 2 163.211 2.126 20 0 AEADLO Cc1cc(N[C@H]2CCC[C@H]2F)nc[nH+]1 307632132 346159225 /nfs/dbraw/zinc/15/92/25/346159225.db2.gz PQKNWIPFPQUGBT-BDAKNGLRSA-N 1 2 195.241 2.088 20 0 AEADLO C[C@H](F)CC[N@@H+]1CCC(F)(F)C1 307670314 346174389 /nfs/dbraw/zinc/17/43/89/346174389.db2.gz UPBDDLLAKKAWBB-ZETCQYMHSA-N 1 2 181.201 2.076 20 0 AEADLO C[C@H](F)CC[N@H+]1CCC(F)(F)C1 307670314 346174393 /nfs/dbraw/zinc/17/43/93/346174393.db2.gz UPBDDLLAKKAWBB-ZETCQYMHSA-N 1 2 181.201 2.076 20 0 AEADLO C[C@@H](C1CC1)N(C)c1cccc[nH+]1 307676852 346177287 /nfs/dbraw/zinc/17/72/87/346177287.db2.gz IBBHMTGFTVFHKG-VIFPVBQESA-N 1 2 176.263 2.316 20 0 AEADLO C[C@H](C1CC1)N(C)c1cccc[nH+]1 307676851 346177450 /nfs/dbraw/zinc/17/74/50/346177450.db2.gz IBBHMTGFTVFHKG-SECBINFHSA-N 1 2 176.263 2.316 20 0 AEADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C 307747174 346217286 /nfs/dbraw/zinc/21/72/86/346217286.db2.gz XSCSAYBKZDJFKO-UWVGGRQHSA-N 1 2 176.263 2.174 20 0 AEADLO CC(F)(F)CNc1cccc[nH+]1 307759296 346226338 /nfs/dbraw/zinc/22/63/38/346226338.db2.gz RDOLRWFPHAHOPK-UHFFFAOYSA-N 1 2 172.178 2.149 20 0 AEADLO CCCSCCn1cc[nH+]c1 307887845 346232642 /nfs/dbraw/zinc/23/26/42/346232642.db2.gz WJTNHTMKHFCPIW-UHFFFAOYSA-N 1 2 170.281 2.026 20 0 AEADLO CCCC[N@H+](CC)CC(F)F 307909286 346234414 /nfs/dbraw/zinc/23/44/14/346234414.db2.gz VGJBFGJIAQQCGV-UHFFFAOYSA-N 1 2 165.227 2.374 20 0 AEADLO CCCC[N@@H+](CC)CC(F)F 307909286 346234417 /nfs/dbraw/zinc/23/44/17/346234417.db2.gz VGJBFGJIAQQCGV-UHFFFAOYSA-N 1 2 165.227 2.374 20 0 AEADLO CCC[C@H](C)[N@H+](C)CC(F)F 307926259 346235929 /nfs/dbraw/zinc/23/59/29/346235929.db2.gz QTSJUJMIBQBZRE-ZETCQYMHSA-N 1 2 165.227 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/nfs/dbraw/zinc/29/19/17/346291917.db2.gz YYYZAYZAQXAIFB-UHFFFAOYSA-N 1 2 194.259 2.026 20 0 AEADLO CC(C)=CC[N@@H+](C)Cc1ccon1 308384786 346295445 /nfs/dbraw/zinc/29/54/45/346295445.db2.gz WHDJFEHHTFIGLT-UHFFFAOYSA-N 1 2 180.251 2.073 20 0 AEADLO CC(C)=CC[N@H+](C)Cc1ccon1 308384786 346295448 /nfs/dbraw/zinc/29/54/48/346295448.db2.gz WHDJFEHHTFIGLT-UHFFFAOYSA-N 1 2 180.251 2.073 20 0 AEADLO CO[C@@H](CNc1cccc[nH+]1)C(C)C 308472298 346305865 /nfs/dbraw/zinc/30/58/65/346305865.db2.gz AAFKKXALXQMCQS-JTQLQIEISA-N 1 2 194.278 2.165 20 0 AEADLO CO[C@H](CNc1cccc[nH+]1)C(C)C 308472300 346306179 /nfs/dbraw/zinc/30/61/79/346306179.db2.gz AAFKKXALXQMCQS-SNVBAGLBSA-N 1 2 194.278 2.165 20 0 AEADLO COCC(C)(C)CNc1cccc[nH+]1 308486007 346306598 /nfs/dbraw/zinc/30/65/98/346306598.db2.gz OGPNBBKIMNICGJ-UHFFFAOYSA-N 1 2 194.278 2.166 20 0 AEADLO CCCCN(C)c1cc[nH+]c(C)n1 308493617 346307632 /nfs/dbraw/zinc/30/76/32/346307632.db2.gz SKLNUMLWHWDGPR-UHFFFAOYSA-N 1 2 179.267 2.021 20 0 AEADLO Cc1nc(N(C)[C@H](C)C(C)C)cc[nH+]1 334178542 346329363 /nfs/dbraw/zinc/32/93/63/346329363.db2.gz AETIPGFXRCOOFX-SECBINFHSA-N 1 2 193.294 2.266 20 0 AEADLO CN(Cc1ccco1)c1cccc[nH+]1 334180474 346329756 /nfs/dbraw/zinc/32/97/56/346329756.db2.gz FGZKXQHDDLXWTK-UHFFFAOYSA-N 1 2 188.230 2.311 20 0 AEADLO Cc1nc(C[N@@H+](C)C2CC2)cs1 334183815 346330791 /nfs/dbraw/zinc/33/07/91/346330791.db2.gz BKWBGOWWYYYJSV-UHFFFAOYSA-N 1 2 182.292 2.046 20 0 AEADLO Cc1nc(C[N@H+](C)C2CC2)cs1 334183815 346330793 /nfs/dbraw/zinc/33/07/93/346330793.db2.gz BKWBGOWWYYYJSV-UHFFFAOYSA-N 1 2 182.292 2.046 20 0 AEADLO CC(C)c1nc(N(C)C(C)C)cc[nH+]1 334231780 346333673 /nfs/dbraw/zinc/33/36/73/346333673.db2.gz LXEBOSCIDUNYHU-UHFFFAOYSA-N 1 2 193.294 2.445 20 0 AEADLO CC1=CC[N@@H+](Cc2cc(C)on2)CC1 334271987 346336745 /nfs/dbraw/zinc/33/67/45/346336745.db2.gz WHPFCAFIIGPVPH-UHFFFAOYSA-N 1 2 192.262 2.135 20 0 AEADLO CC1=CC[N@H+](Cc2cc(C)on2)CC1 334271987 346336741 /nfs/dbraw/zinc/33/67/41/346336741.db2.gz WHPFCAFIIGPVPH-UHFFFAOYSA-N 1 2 192.262 2.135 20 0 AEADLO Cc1cc(N(C)[C@H](C)C(C)C)nc[nH+]1 334461382 346348671 /nfs/dbraw/zinc/34/86/71/346348671.db2.gz OUGAGBLYKIRZAM-SNVBAGLBSA-N 1 2 193.294 2.266 20 0 AEADLO Cc1cc(N(C)[C@@H](C)C(C)C)nc[nH+]1 334461381 346348864 /nfs/dbraw/zinc/34/88/64/346348864.db2.gz OUGAGBLYKIRZAM-JTQLQIEISA-N 1 2 193.294 2.266 20 0 AEADLO CCC1C[NH+](Cc2csc(C)n2)C1 334522134 346351756 /nfs/dbraw/zinc/35/17/56/346351756.db2.gz JOKKHBWWYDWJCM-UHFFFAOYSA-N 1 2 196.319 2.293 20 0 AEADLO Cc1nc(N2CCC(C)(C)C2)cc[nH+]1 334525010 346352439 /nfs/dbraw/zinc/35/24/39/346352439.db2.gz PLJNDQZVIVCGHD-UHFFFAOYSA-N 1 2 191.278 2.021 20 0 AEADLO Cc1nc(N2[C@@H](C)CC[C@@H]2C)cc[nH+]1 334629987 346357757 /nfs/dbraw/zinc/35/77/57/346357757.db2.gz BFGSNEXKXDCTTF-IUCAKERBSA-N 1 2 191.278 2.162 20 0 AEADLO Cc1nc(N2[C@@H](C)CC[C@H]2C)cc[nH+]1 334629977 346357783 /nfs/dbraw/zinc/35/77/83/346357783.db2.gz BFGSNEXKXDCTTF-DTORHVGOSA-N 1 2 191.278 2.162 20 0 AEADLO Cc1nc(N2CC[C@@H]2C(C)C)cc[nH+]1 334665008 346359590 /nfs/dbraw/zinc/35/95/90/346359590.db2.gz AWYOIBIVSMLQSP-SNVBAGLBSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N2CC[C@H]2C(C)C)cc[nH+]1 334665005 346359714 /nfs/dbraw/zinc/35/97/14/346359714.db2.gz AWYOIBIVSMLQSP-JTQLQIEISA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2CC[C@H]2C(C)C)nc[nH+]1 334669179 346359796 /nfs/dbraw/zinc/35/97/96/346359796.db2.gz UIULHBLUUKQZMH-JTQLQIEISA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2CC[C@@H]2C(C)C)nc[nH+]1 334669180 346359957 /nfs/dbraw/zinc/35/99/57/346359957.db2.gz UIULHBLUUKQZMH-SNVBAGLBSA-N 1 2 191.278 2.020 20 0 AEADLO CC1(C)[C@H]2CN(c3cccc[nH+]3)C[C@H]21 334686921 346361126 /nfs/dbraw/zinc/36/11/26/346361126.db2.gz AMVYVYKAUJQCBG-AOOOYVTPSA-N 1 2 188.274 2.174 20 0 AEADLO Cc1nc(N(C)[C@H]2CC2(C)C)cc[nH+]1 334782440 346364086 /nfs/dbraw/zinc/36/40/86/346364086.db2.gz SIMADQGTWOWUGY-VIFPVBQESA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N(C)[C@@H]2CC2(C)C)cc[nH+]1 334782438 346364135 /nfs/dbraw/zinc/36/41/35/346364135.db2.gz SIMADQGTWOWUGY-SECBINFHSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(NC2CC(C)(F)C2)nc[nH+]1 334779748 346364156 /nfs/dbraw/zinc/36/41/56/346364156.db2.gz DKTSNYXVQIBFGU-UHFFFAOYSA-N 1 2 195.241 2.088 20 0 AEADLO CCC1(C)C[NH+](Cc2cscn2)C1 334785261 346364211 /nfs/dbraw/zinc/36/42/11/346364211.db2.gz DGQWSWLNXPJNPH-UHFFFAOYSA-N 1 2 196.319 2.375 20 0 AEADLO Cc1nc(NC2CC(C)(F)C2)cc[nH+]1 334781113 346364281 /nfs/dbraw/zinc/36/42/81/346364281.db2.gz WBZCSWVYOYMOSF-UHFFFAOYSA-N 1 2 195.241 2.088 20 0 AEADLO CC[C@@H]1OCC[C@H]1Nc1cccc[nH+]1 334812063 346365964 /nfs/dbraw/zinc/36/59/64/346365964.db2.gz HDLUPFNUSPXNMK-ZJUUUORDSA-N 1 2 192.262 2.061 20 0 AEADLO Cc1nc(N(C)CC(C)(C)C)cc[nH+]1 335162635 346381002 /nfs/dbraw/zinc/38/10/02/346381002.db2.gz BJEWEQZVWMPAQR-UHFFFAOYSA-N 1 2 193.294 2.267 20 0 AEADLO Cc1cc(N2CC[C@@H](C)[C@@H]2C)nc[nH+]1 335295902 346387287 /nfs/dbraw/zinc/38/72/87/346387287.db2.gz DUVYFUYUOFPQRC-SCZZXKLOSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2CC[C@H](C)[C@@H]2C)nc[nH+]1 335295904 346387382 /nfs/dbraw/zinc/38/73/82/346387382.db2.gz DUVYFUYUOFPQRC-WPRPVWTQSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2CC[C@H](C)[C@H]2C)nc[nH+]1 335295903 346387420 /nfs/dbraw/zinc/38/74/20/346387420.db2.gz DUVYFUYUOFPQRC-WCBMZHEXSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2CC[C@@H](C)[C@H]2C)nc[nH+]1 335295901 346387603 /nfs/dbraw/zinc/38/76/03/346387603.db2.gz DUVYFUYUOFPQRC-PSASIEDQSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(NC2(CF)CCC2)cc[nH+]1 335430032 346396072 /nfs/dbraw/zinc/39/60/72/346396072.db2.gz RIPWOICJYVEPME-UHFFFAOYSA-N 1 2 195.241 2.089 20 0 AEADLO Cc1cc(N2C[C@@H](C)C[C@H]2C)nc[nH+]1 335439759 346396656 /nfs/dbraw/zinc/39/66/56/346396656.db2.gz ZXOYXSRZMYGQFO-WCBMZHEXSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(NC2(CF)CCC2)nc[nH+]1 335430825 346396676 /nfs/dbraw/zinc/39/66/76/346396676.db2.gz XSKASTJPIZICFR-UHFFFAOYSA-N 1 2 195.241 2.089 20 0 AEADLO Cc1cc(N2C[C@H](C)C[C@H]2C)nc[nH+]1 335439757 346396707 /nfs/dbraw/zinc/39/67/07/346396707.db2.gz ZXOYXSRZMYGQFO-PSASIEDQSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N(C)C2CCCC2)cc[nH+]1 335440345 346396779 /nfs/dbraw/zinc/39/67/79/346396779.db2.gz IXUVGLWNUNKOFW-UHFFFAOYSA-N 1 2 191.278 2.164 20 0 AEADLO Cc1cc(N2C[C@H](C)C[C@@H]2C)nc[nH+]1 335439758 346396784 /nfs/dbraw/zinc/39/67/84/346396784.db2.gz ZXOYXSRZMYGQFO-SCZZXKLOSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2C[C@@H](C)C[C@@H]2C)nc[nH+]1 335439760 346396894 /nfs/dbraw/zinc/39/68/94/346396894.db2.gz ZXOYXSRZMYGQFO-WPRPVWTQSA-N 1 2 191.278 2.020 20 0 AEADLO C[C@H](c1csnn1)[NH+]1CCCCC1 335584879 346407198 /nfs/dbraw/zinc/40/71/98/346407198.db2.gz WFFCVAKNDQCNFY-MRVPVSSYSA-N 1 2 197.307 2.085 20 0 AEADLO CC[C@H]1CCCN1c1cc[nH+]c(C)n1 335707959 346415345 /nfs/dbraw/zinc/41/53/45/346415345.db2.gz MLNQUBNERBRHBM-JTQLQIEISA-N 1 2 191.278 2.164 20 0 AEADLO Cc1cc(N(C)[C@H]2CC2(C)C)nc[nH+]1 335711590 346415540 /nfs/dbraw/zinc/41/55/40/346415540.db2.gz MIULTVKWXQMCCY-VIFPVBQESA-N 1 2 191.278 2.020 20 0 AEADLO CC[C@@H]1CCCN1c1cc[nH+]c(C)n1 335707960 346415830 /nfs/dbraw/zinc/41/58/30/346415830.db2.gz MLNQUBNERBRHBM-SNVBAGLBSA-N 1 2 191.278 2.164 20 0 AEADLO Cc1cc(N(C)[C@@H]2CC2(C)C)nc[nH+]1 335711589 346415833 /nfs/dbraw/zinc/41/58/33/346415833.db2.gz MIULTVKWXQMCCY-SECBINFHSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N(C)C2CCCC2)nc[nH+]1 335842754 346423327 /nfs/dbraw/zinc/42/33/27/346423327.db2.gz NSKWTEKXTZQALV-UHFFFAOYSA-N 1 2 191.278 2.164 20 0 AEADLO Cc1cc(N2[C@@H](C)CC[C@@H]2C)nc[nH+]1 336035277 346435024 /nfs/dbraw/zinc/43/50/24/346435024.db2.gz ICXPROWVXPGBHD-UWVGGRQHSA-N 1 2 191.278 2.162 20 0 AEADLO Cc1cc(N2[C@@H](C)CC[C@H]2C)nc[nH+]1 336035275 346435077 /nfs/dbraw/zinc/43/50/77/346435077.db2.gz ICXPROWVXPGBHD-AOOOYVTPSA-N 1 2 191.278 2.162 20 0 AEADLO Cc1cc(N2[C@H](C)CC[C@H]2C)nc[nH+]1 336035276 346435330 /nfs/dbraw/zinc/43/53/30/346435330.db2.gz ICXPROWVXPGBHD-NXEZZACHSA-N 1 2 191.278 2.162 20 0 AEADLO Cc1nc(N2CC[C@@H](C)[C@@H]2C)cc[nH+]1 336080778 346437440 /nfs/dbraw/zinc/43/74/40/346437440.db2.gz BSBAJQMQUKYPBT-BDAKNGLRSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N2CC[C@@H](C)[C@H]2C)cc[nH+]1 336080781 346437966 /nfs/dbraw/zinc/43/79/66/346437966.db2.gz BSBAJQMQUKYPBT-RKDXNWHRSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N2CC[C@H](C)[C@@H]2C)cc[nH+]1 336080780 346438013 /nfs/dbraw/zinc/43/80/13/346438013.db2.gz BSBAJQMQUKYPBT-IUCAKERBSA-N 1 2 191.278 2.020 20 0 AEADLO C1=C(Cn2cc[nH+]c2)CCCC1 336191269 346443366 /nfs/dbraw/zinc/44/33/66/346443366.db2.gz BEUCOKNXOHIOKY-UHFFFAOYSA-N 1 2 162.236 2.384 20 0 AEADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](F)C2)o1 336263117 346448443 /nfs/dbraw/zinc/44/84/43/346448443.db2.gz RXUWNVKJTFHGDX-DTWKUNHWSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](F)C2)o1 336263117 346448446 /nfs/dbraw/zinc/44/84/46/346448446.db2.gz RXUWNVKJTFHGDX-DTWKUNHWSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](F)C2)o1 336263116 346448683 /nfs/dbraw/zinc/44/86/83/346448683.db2.gz RXUWNVKJTFHGDX-BDAKNGLRSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](F)C2)o1 336263116 346448686 /nfs/dbraw/zinc/44/86/86/346448686.db2.gz RXUWNVKJTFHGDX-BDAKNGLRSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](F)C2)o1 336263118 346448896 /nfs/dbraw/zinc/44/88/96/346448896.db2.gz RXUWNVKJTFHGDX-IUCAKERBSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](F)C2)o1 336263118 346448897 /nfs/dbraw/zinc/44/88/97/346448897.db2.gz RXUWNVKJTFHGDX-IUCAKERBSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](F)C2)o1 336263119 346449685 /nfs/dbraw/zinc/44/96/85/346449685.db2.gz RXUWNVKJTFHGDX-RKDXNWHRSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](F)C2)o1 336263119 346449686 /nfs/dbraw/zinc/44/96/86/346449686.db2.gz RXUWNVKJTFHGDX-RKDXNWHRSA-N 1 2 198.241 2.088 20 0 AEADLO Cc1nc(N(C)CC2CCC2)cc[nH+]1 336340299 346456102 /nfs/dbraw/zinc/45/61/02/346456102.db2.gz KPXWJCVQPIUOGB-UHFFFAOYSA-N 1 2 191.278 2.021 20 0 AEADLO Cc1cc(N2CCC(C)(C)C2)nc[nH+]1 336340390 346456287 /nfs/dbraw/zinc/45/62/87/346456287.db2.gz IOLZZXBSDZRDJA-UHFFFAOYSA-N 1 2 191.278 2.021 20 0 AEADLO CCC(=O)Nc1c(C)cc(C)[nH+]c1C 336357217 346457541 /nfs/dbraw/zinc/45/75/41/346457541.db2.gz JFGIOCXJRZEWCN-UHFFFAOYSA-N 1 2 192.262 2.355 20 0 AEADLO CC[C@@H]1CCCN1c1cc(C)[nH+]cn1 336362475 346458163 /nfs/dbraw/zinc/45/81/63/346458163.db2.gz KKQOQUQNXWWDFI-SNVBAGLBSA-N 1 2 191.278 2.164 20 0 AEADLO Cc1cc(N(C)CC2CCC2)nc[nH+]1 336364549 346458338 /nfs/dbraw/zinc/45/83/38/346458338.db2.gz WNCNZZKUYHLQSH-UHFFFAOYSA-N 1 2 191.278 2.021 20 0 AEADLO CC[C@H]1CCCN1c1cc(C)[nH+]cn1 336362474 346458385 /nfs/dbraw/zinc/45/83/85/346458385.db2.gz KKQOQUQNXWWDFI-JTQLQIEISA-N 1 2 191.278 2.164 20 0 AEADLO Cc1cc(N(C)CC(C)(C)C)nc[nH+]1 336363412 346458400 /nfs/dbraw/zinc/45/84/00/346458400.db2.gz MDZIRXSCXISDBI-UHFFFAOYSA-N 1 2 193.294 2.267 20 0 AEADLO CN(Cc1ccoc1)c1cccc[nH+]1 336371563 346459030 /nfs/dbraw/zinc/45/90/30/346459030.db2.gz 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Cc1csc(-c2c[nH+]c(C)n2C)n1 630053396 347359602 /nfs/dbraw/zinc/35/96/02/347359602.db2.gz UKHYQNPYEKCOLE-UHFFFAOYSA-N 1 2 193.275 2.160 20 0 AEADLO CCCCc1cc(NC2CC2)nc[nH+]1 631032862 347375678 /nfs/dbraw/zinc/37/56/78/347375678.db2.gz OHAULDZTTBFCEI-UHFFFAOYSA-N 1 2 191.278 2.394 20 0 AEADLO CC(C)CNc1c[nH+]cc(N(C)C)c1 631202894 347379226 /nfs/dbraw/zinc/37/92/26/347379226.db2.gz GYQHERXAUXFTOE-UHFFFAOYSA-N 1 2 193.294 2.216 20 0 AEADLO CCC[C@@H](CCO)Nc1cccc[nH+]1 631426047 347382320 /nfs/dbraw/zinc/38/23/20/347382320.db2.gz LOOSGGWRDYLRFN-JTQLQIEISA-N 1 2 194.278 2.045 20 0 AEADLO CCC[C@H](CCO)Nc1cccc[nH+]1 631426051 347382512 /nfs/dbraw/zinc/38/25/12/347382512.db2.gz LOOSGGWRDYLRFN-SNVBAGLBSA-N 1 2 194.278 2.045 20 0 AEADLO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccon1 634983970 347431625 /nfs/dbraw/zinc/43/16/25/347431625.db2.gz DCDHSOWOQUGMHZ-NXEZZACHSA-N 1 2 198.241 2.045 20 0 AEADLO CCC1(CC)C[NH+](Cc2ccon2)C1 639250931 347508013 /nfs/dbraw/zinc/50/80/13/347508013.db2.gz ZKYCEMPFYBZGCS-UHFFFAOYSA-N 1 2 194.278 2.297 20 0 AEADLO CCC1(C)C[NH+](Cc2ncc(C)o2)C1 639254992 347508794 /nfs/dbraw/zinc/50/87/94/347508794.db2.gz JXEYARWSUIAWAX-UHFFFAOYSA-N 1 2 194.278 2.215 20 0 AEADLO CC1(C)C[NH+](Cc2ccncc2F)C1 639393622 347515762 /nfs/dbraw/zinc/51/57/62/347515762.db2.gz PSLICVAIZKYBKZ-UHFFFAOYSA-N 1 2 194.253 2.063 20 0 AEADLO Cc1cnc(C[NH+]2CC(C)(C)C2)s1 639393186 347515810 /nfs/dbraw/zinc/51/58/10/347515810.db2.gz HUOMXFLNULHDRW-UHFFFAOYSA-N 1 2 196.319 2.293 20 0 AEADLO Cc1nc(C[NH+]2CC(C)(C)C2)cs1 639406709 347516712 /nfs/dbraw/zinc/51/67/12/347516712.db2.gz SQJBVQQRLPDOLN-UHFFFAOYSA-N 1 2 196.319 2.293 20 0 AEADLO CCCCC[N@H+](C)Cc1cn[nH]c1C 639971276 347541093 /nfs/dbraw/zinc/54/10/93/347541093.db2.gz YOGFDAIROOFGTK-UHFFFAOYSA-N 1 2 195.310 2.340 20 0 AEADLO CCCCC[N@@H+](C)Cc1cn[nH]c1C 639971276 347541096 /nfs/dbraw/zinc/54/10/96/347541096.db2.gz YOGFDAIROOFGTK-UHFFFAOYSA-N 1 2 195.310 2.340 20 0 AEADLO CC(C)=CC[N@@H+](C)Cc1cn[nH]c1C 639967934 347541266 /nfs/dbraw/zinc/54/12/66/347541266.db2.gz NVHRXJGDPRUPTG-UHFFFAOYSA-N 1 2 193.294 2.116 20 0 AEADLO CC(C)=CC[N@H+](C)Cc1cn[nH]c1C 639967934 347541270 /nfs/dbraw/zinc/54/12/70/347541270.db2.gz NVHRXJGDPRUPTG-UHFFFAOYSA-N 1 2 193.294 2.116 20 0 AEADLO FCCC1CC[NH+](CC(F)F)CC1 639989142 347542154 /nfs/dbraw/zinc/54/21/54/347542154.db2.gz VUHPJMMQVAGDLU-UHFFFAOYSA-N 1 2 195.228 2.323 20 0 AEADLO CC1(F)CC[NH+](CC(F)F)CC1 640071539 347544810 /nfs/dbraw/zinc/54/48/10/347544810.db2.gz AAOIFVXFYJKYML-UHFFFAOYSA-N 1 2 181.201 2.076 20 0 AEADLO CCC(CC)Nc1cc(CO)cc[nH+]1 641253004 347569006 /nfs/dbraw/zinc/56/90/06/347569006.db2.gz UUZNPCCNQVOUAL-UHFFFAOYSA-N 1 2 194.278 2.174 20 0 AEADLO CC(C)(C)CNc1cc(CO)cc[nH+]1 641306378 347569738 /nfs/dbraw/zinc/56/97/38/347569738.db2.gz KMNNPSCEJMYJCV-UHFFFAOYSA-N 1 2 194.278 2.032 20 0 AEADLO CCC[C@@H](C)Nc1cc(CO)cc[nH+]1 641275266 347569802 /nfs/dbraw/zinc/56/98/02/347569802.db2.gz LSNMUAXLRLFVDK-SECBINFHSA-N 1 2 194.278 2.174 20 0 AEADLO CCC[C@H](C)Nc1cc(CO)cc[nH+]1 641275267 347569852 /nfs/dbraw/zinc/56/98/52/347569852.db2.gz LSNMUAXLRLFVDK-VIFPVBQESA-N 1 2 194.278 2.174 20 0 AEADLO CCC[C@H](C)Nc1cc[nH+]cc1F 641275530 347569863 /nfs/dbraw/zinc/56/98/63/347569863.db2.gz QFTKXKQHWGBCNY-QMMMGPOBSA-N 1 2 182.242 2.243 20 0 AEADLO CN(CC1CC1)c1cc[nH+]cc1F 641301208 347569989 /nfs/dbraw/zinc/56/99/89/347569989.db2.gz OMYAYPLHFBAXTI-UHFFFAOYSA-N 1 2 180.226 2.067 20 0 AEADLO C[C@@H](CNc1cc[nH+]cc1F)C1CC1 641307294 347570106 /nfs/dbraw/zinc/57/01/06/347570106.db2.gz DYFQUCGXKUJWFI-QMMMGPOBSA-N 1 2 194.253 2.101 20 0 AEADLO CCC[C@@H](C)Nc1cc[nH+]cc1F 641275529 347570119 /nfs/dbraw/zinc/57/01/19/347570119.db2.gz QFTKXKQHWGBCNY-MRVPVSSYSA-N 1 2 182.242 2.243 20 0 AEADLO C[C@H](CNc1cc[nH+]cc1F)C1CC1 641307292 347570153 /nfs/dbraw/zinc/57/01/53/347570153.db2.gz DYFQUCGXKUJWFI-MRVPVSSYSA-N 1 2 194.253 2.101 20 0 AEADLO C[C@H]1CCC[C@H]1Nc1cc[nH+]cc1F 641348209 347570541 /nfs/dbraw/zinc/57/05/41/347570541.db2.gz 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/nfs/dbraw/zinc/57/09/83/347570983.db2.gz MEMBYBKNMKRQRO-UHFFFAOYSA-N 1 2 182.242 2.313 20 0 AEADLO CC1(C)CCN(c2cc[nH+]cc2F)C1 641404135 347571382 /nfs/dbraw/zinc/57/13/82/347571382.db2.gz HFRWBIAMMQWZMR-UHFFFAOYSA-N 1 2 194.253 2.457 20 0 AEADLO C[C@H]1C[C@@H](C)CN1c1cc[nH+]cc1F 641391209 347571388 /nfs/dbraw/zinc/57/13/88/347571388.db2.gz NTXRQOBAWACNLZ-BDAKNGLRSA-N 1 2 194.253 2.455 20 0 AEADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@@H]1C 641410669 347571424 /nfs/dbraw/zinc/57/14/24/347571424.db2.gz UTKPBPIJWJCILW-IUCAKERBSA-N 1 2 194.253 2.313 20 0 AEADLO C[C@H]1CCCN1c1cc[nH+]cc1F 641408455 347571449 /nfs/dbraw/zinc/57/14/49/347571449.db2.gz JUBMJHFEECCIPG-QMMMGPOBSA-N 1 2 180.226 2.209 20 0 AEADLO C[C@H]1C[C@H](C)N(c2cc[nH+]cc2F)C1 641391219 347571479 /nfs/dbraw/zinc/57/14/79/347571479.db2.gz NTXRQOBAWACNLZ-IUCAKERBSA-N 1 2 194.253 2.455 20 0 AEADLO C[C@@H]1CCCN1c1cc[nH+]cc1F 641408454 347571534 /nfs/dbraw/zinc/57/15/34/347571534.db2.gz JUBMJHFEECCIPG-MRVPVSSYSA-N 1 2 180.226 2.209 20 0 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/nfs/dbraw/zinc/57/23/10/347572310.db2.gz VBNVGRRIYZMOIF-VIFPVBQESA-N 1 2 194.253 2.457 20 0 AEADLO CC[C@@H]1CCN(c2cc[nH+]cc2F)C1 641429325 347572345 /nfs/dbraw/zinc/57/23/45/347572345.db2.gz VBNVGRRIYZMOIF-SECBINFHSA-N 1 2 194.253 2.457 20 0 AEADLO CCC1(CNc2cc[nH+]cc2F)CC1 641418735 347572452 /nfs/dbraw/zinc/57/24/52/347572452.db2.gz CYWLKGUXJZMJLI-UHFFFAOYSA-N 1 2 194.253 2.245 20 0 AEADLO C[C@H](Nc1cc[nH+]cc1F)C1CCC1 641461017 347572725 /nfs/dbraw/zinc/57/27/25/347572725.db2.gz FWZXZNNXRJRXLS-QMMMGPOBSA-N 1 2 194.253 2.243 20 0 AEADLO CC1=CCN(c2cc[nH+]cc2F)CC1 641462176 347572801 /nfs/dbraw/zinc/57/28/01/347572801.db2.gz PZKZPAQMYONWGV-UHFFFAOYSA-N 1 2 192.237 2.377 20 0 AEADLO C[C@@H](Nc1cc[nH+]cc1F)C1CCC1 641461015 347572834 /nfs/dbraw/zinc/57/28/34/347572834.db2.gz FWZXZNNXRJRXLS-MRVPVSSYSA-N 1 2 194.253 2.243 20 0 AEADLO CN(CCC1CC1)c1cc[nH+]cc1F 641453622 347573084 /nfs/dbraw/zinc/57/30/84/347573084.db2.gz WRZILQKZRDUIBM-UHFFFAOYSA-N 1 2 194.253 2.457 20 0 AEADLO C[C@@H]1CCN(c2cc[nH+]cc2F)[C@@H]1C 641445662 347573123 /nfs/dbraw/zinc/57/31/23/347573123.db2.gz WZCAKSSXMBYOAF-RKDXNWHRSA-N 1 2 194.253 2.455 20 0 AEADLO FC1=CCCN(c2cc[nH+]cc2F)C1 641504853 347574555 /nfs/dbraw/zinc/57/45/55/347574555.db2.gz JHIUKCKUAOBICH-UHFFFAOYSA-N 1 2 196.200 2.284 20 0 AEADLO CC(C)=CCCNc1cc[nH+]cc1F 641528528 347575135 /nfs/dbraw/zinc/57/51/35/347575135.db2.gz MQDIPRKOCIHYPQ-UHFFFAOYSA-N 1 2 194.253 2.411 20 0 AEADLO CC1(CCNc2cc[nH+]cc2F)CC1 641544701 347575540 /nfs/dbraw/zinc/57/55/40/347575540.db2.gz BURXLNDJRQIGHJ-UHFFFAOYSA-N 1 2 194.253 2.245 20 0 AEADLO CC1=CCCN(c2cc[nH+]cc2F)C1 641550311 347576140 /nfs/dbraw/zinc/57/61/40/347576140.db2.gz RQAFCAOZDQRANN-UHFFFAOYSA-N 1 2 192.237 2.377 20 0 AEADLO Fc1c[nH+]ccc1N1CCC[C@@H](F)C1 641551772 347576261 /nfs/dbraw/zinc/57/62/61/347576261.db2.gz DQBDAGNYAIPVDC-MRVPVSSYSA-N 1 2 198.216 2.159 20 0 AEADLO Fc1c[nH+]ccc1N1CCC[C@H](F)C1 641551786 347576383 /nfs/dbraw/zinc/57/63/83/347576383.db2.gz 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347578344 /nfs/dbraw/zinc/57/83/44/347578344.db2.gz YHLJQJCWGDTFHM-SECBINFHSA-N 1 2 194.278 2.032 20 0 AEADLO Fc1c[nH+]ccc1NCC1=CCCC1 641664259 347578776 /nfs/dbraw/zinc/57/87/76/347578776.db2.gz BZGKMTXWHBBRKZ-UHFFFAOYSA-N 1 2 192.237 2.165 20 0 AEADLO CC1CC(CNc2cc[nH+]cc2F)C1 641674234 347578783 /nfs/dbraw/zinc/57/87/83/347578783.db2.gz MMCLUNHWPJXXLL-UHFFFAOYSA-N 1 2 194.253 2.101 20 0 AEADLO Fc1c[nH+]ccc1N1CC[C@@H]2C[C@@H]2C1 641663866 347578836 /nfs/dbraw/zinc/57/88/36/347578836.db2.gz FKXBERKSKNYFQM-RKDXNWHRSA-N 1 2 192.237 2.067 20 0 AEADLO CC[C@@H](Nc1cc[nH+]cc1F)C1CC1 641660479 347578910 /nfs/dbraw/zinc/57/89/10/347578910.db2.gz BVQQNBKKPYNHAA-SNVBAGLBSA-N 1 2 194.253 2.243 20 0 AEADLO Fc1c[nH+]ccc1N1CC[C@H]2C[C@H]2C1 641663865 347579033 /nfs/dbraw/zinc/57/90/33/347579033.db2.gz FKXBERKSKNYFQM-IUCAKERBSA-N 1 2 192.237 2.067 20 0 AEADLO CC[C@H](Nc1cc[nH+]cc1F)C1CC1 641660478 347579049 /nfs/dbraw/zinc/57/90/49/347579049.db2.gz BVQQNBKKPYNHAA-JTQLQIEISA-N 1 2 194.253 2.243 20 0 AEADLO Fc1c[nH+]ccc1NCC1CC=CC1 641678583 347579557 /nfs/dbraw/zinc/57/95/57/347579557.db2.gz YCIGIGOAPGVLPE-UHFFFAOYSA-N 1 2 192.237 2.021 20 0 AEADLO CC(C)=CC[N@@H+](C)Cc1cc(C)on1 642329321 347593246 /nfs/dbraw/zinc/59/32/46/347593246.db2.gz CUHIHYPPDMCDIA-UHFFFAOYSA-N 1 2 194.278 2.381 20 0 AEADLO CC(C)=CC[N@H+](C)Cc1cc(C)on1 642329321 347593250 /nfs/dbraw/zinc/59/32/50/347593250.db2.gz CUHIHYPPDMCDIA-UHFFFAOYSA-N 1 2 194.278 2.381 20 0 AEADLO c1ccc(-c2c[nH]n3cc[nH+]c23)cc1 11608 351267794 /nfs/dbraw/zinc/26/77/94/351267794.db2.gz QTRXJOFKBZRITG-UHFFFAOYSA-N 1 2 183.214 2.329 20 0 AEADLO c1ccc(-c2cc3[nH+]ccn3[nH]2)cc1 11605 351268437 /nfs/dbraw/zinc/26/84/37/351268437.db2.gz QJSDFRBOSICKDV-UHFFFAOYSA-N 1 2 183.214 2.329 20 0 AEADLO c1ccc2c(c1)[nH+]c1ccccn12 225781 351274199 /nfs/dbraw/zinc/27/41/99/351274199.db2.gz FODVQKYUAIWTKY-UHFFFAOYSA-N 1 2 168.199 2.488 20 0 AEADLO c1ccc(-c2[nH+]cc3cnccn23)cc1 13281757 351367286 /nfs/dbraw/zinc/36/72/86/351367286.db2.gz KYDINHGVTWLLQO-UHFFFAOYSA-N 1 2 195.225 2.396 20 0 AEADLO c1cn(CC2CCCCC2)c[nH+]1 13580720 351371414 /nfs/dbraw/zinc/37/14/14/351371414.db2.gz KMPWYLDBCZNFAK-UHFFFAOYSA-N 1 2 164.252 2.463 20 0 AEADLO CCC(CC)Cn1cc[nH+]c1 13580718 351371619 /nfs/dbraw/zinc/37/16/19/351371619.db2.gz YTDSNGSFMKIWFP-UHFFFAOYSA-N 1 2 152.241 2.319 20 0 AEADLO CC[C@@H](C)Nc1cccc[nH+]1 20001612 351398863 /nfs/dbraw/zinc/39/88/63/351398863.db2.gz TVEKXUKOGMAKMP-MRVPVSSYSA-N 1 2 150.225 2.292 20 0 AEADLO c1ccc2c(c1)[nH+]c1n2CCCC1 32154472 351426702 /nfs/dbraw/zinc/42/67/02/351426702.db2.gz QHDDBWGHEWTMDV-UHFFFAOYSA-N 1 2 172.231 2.373 20 0 AEADLO c1cn(CC2CCCC2)c[nH+]1 35244656 351449717 /nfs/dbraw/zinc/44/97/17/351449717.db2.gz CTTNZPXRMSNPHK-UHFFFAOYSA-N 1 2 150.225 2.073 20 0 AEADLO c1cc2c(cc1[NH2+]CC1CC1)CCO2 37103933 351462235 /nfs/dbraw/zinc/46/22/35/351462235.db2.gz LYLWOYDUWLAGCK-UHFFFAOYSA-N 1 2 189.258 2.443 20 0 AEADLO c1ccc(NCC2CCC2)[nH+]c1 37180882 351464439 /nfs/dbraw/zinc/46/44/39/351464439.db2.gz KITHICCEIQTEFY-UHFFFAOYSA-N 1 2 162.236 2.294 20 0 AEADLO c1ccc(NCc2[nH]cc[nH+]2)cc1 37483141 351469187 /nfs/dbraw/zinc/46/91/87/351469187.db2.gz LKTOVFRMNAMQMZ-UHFFFAOYSA-N 1 2 173.219 2.022 20 0 AEADLO c1ccc(NCCc2cccnc2)[nH+]c1 37718611 351472971 /nfs/dbraw/zinc/47/29/71/351472971.db2.gz XTMPWEBNIGBSGE-UHFFFAOYSA-N 1 2 199.257 2.131 20 0 AEADLO CC(C)=CCNc1cccc[nH+]1 40892250 351512198 /nfs/dbraw/zinc/51/21/98/351512198.db2.gz YJJRIKKGZXGQHB-UHFFFAOYSA-N 1 2 162.236 2.460 20 0 AEADLO c1ccc(NCc2nccs2)[nH+]c1 41043806 351514474 /nfs/dbraw/zinc/51/44/74/351514474.db2.gz SXOSSUDDTIEGAO-UHFFFAOYSA-N 1 2 191.259 2.150 20 0 AEADLO c1ccc(NC[C@@H]2CCCCO2)[nH+]c1 44417581 351538351 /nfs/dbraw/zinc/53/83/51/351538351.db2.gz PZBYNPYNBTUAEL-JTQLQIEISA-N 1 2 192.262 2.063 20 0 AEADLO c1ccc(NC2CCC2)[nH+]c1 52211392 351563474 /nfs/dbraw/zinc/56/34/74/351563474.db2.gz KSKJFXMOURMKPC-UHFFFAOYSA-N 1 2 148.209 2.046 20 0 AEADLO c1ccc2oc(-n3cc[nH+]c3)nc2c1 70162741 351601785 /nfs/dbraw/zinc/60/17/85/351601785.db2.gz LMEKBKSSDFPZBQ-UHFFFAOYSA-N 1 2 185.186 2.014 20 0 AEADLO Oc1c[nH+]c2c(c1)CCCCC2 71260711 351610718 /nfs/dbraw/zinc/61/07/18/351610718.db2.gz SMODHLMWPQMMJL-UHFFFAOYSA-N 1 2 163.220 2.056 20 0 AEADLO c1cc2cc3c(cc2c[nH+]1)OCCO3 82767280 351641196 /nfs/dbraw/zinc/64/11/96/351641196.db2.gz YPQPYWMYACLTHV-UHFFFAOYSA-N 1 2 187.198 2.006 20 0 AEADLO C[C@@H](c1c[nH]c[nH+]1)c1ccccc1O 104400943 351712944 /nfs/dbraw/zinc/71/29/44/351712944.db2.gz KOPRZBXDFZCSQX-MRVPVSSYSA-N 1 2 188.230 2.267 20 0 AEADLO C[C@@H](c1cccc(O)c1)c1c[nH]c[nH+]1 104400678 351713014 /nfs/dbraw/zinc/71/30/14/351713014.db2.gz ILWZLMQPOUAOSN-QMMMGPOBSA-N 1 2 188.230 2.267 20 0 AEADLO C[C@@H]1C[C@@H]1CNc1cccc[nH+]1 122791306 351727651 /nfs/dbraw/zinc/72/76/51/351727651.db2.gz ZPNCBXCSDHIEBX-RKDXNWHRSA-N 1 2 162.236 2.150 20 0 AEADLO c1ccc(NCc2ccoc2)[nH+]c1 123139853 351727769 /nfs/dbraw/zinc/72/77/69/351727769.db2.gz UBVVSBUWMPHGQY-UHFFFAOYSA-N 1 2 174.203 2.287 20 0 AEADLO C[C@@H]1C[C@H]1CNc1cccc[nH+]1 122791695 351727883 /nfs/dbraw/zinc/72/78/83/351727883.db2.gz ZPNCBXCSDHIEBX-BDAKNGLRSA-N 1 2 162.236 2.150 20 0 AEADLO CC(C)(C)CC[NH+]1CC(F)C1 205421473 351784969 /nfs/dbraw/zinc/78/49/69/351784969.db2.gz ZIYKHSRMACWHLC-UHFFFAOYSA-N 1 2 159.248 2.076 20 0 AEADLO C[C@@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 220093583 351791771 /nfs/dbraw/zinc/79/17/71/351791771.db2.gz BOQRKALCEKFWFB-ZJUUUORDSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@H]1C[C@H](Nc2cccc[nH+]2)CCO1 220093810 351791846 /nfs/dbraw/zinc/79/18/46/351791846.db2.gz BOQRKALCEKFWFB-VHSXEESVSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@@H]1C[C@H](Nc2cccc[nH+]2)CCO1 220093731 351791888 /nfs/dbraw/zinc/79/18/88/351791888.db2.gz BOQRKALCEKFWFB-NXEZZACHSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 220093654 351791920 /nfs/dbraw/zinc/79/19/20/351791920.db2.gz BOQRKALCEKFWFB-UWVGGRQHSA-N 1 2 192.262 2.061 20 0 AEADLO CC1(CNc2cccc[nH+]2)CC1 224435636 351796180 /nfs/dbraw/zinc/79/61/80/351796180.db2.gz PTVYLGUCYWTEKV-UHFFFAOYSA-N 1 2 162.236 2.294 20 0 AEADLO COc1ccc[nH+]c1NCC1(C)CC1 234947885 351815538 /nfs/dbraw/zinc/81/55/38/351815538.db2.gz FVNUJTAXYSUMJN-UHFFFAOYSA-N 1 2 192.262 2.302 20 0 AEADLO c1csc(COc2cc[nH+]cc2)n1 306154896 351900749 /nfs/dbraw/zinc/90/07/49/351900749.db2.gz BOLIWAHWYGFSLU-UHFFFAOYSA-N 1 2 192.243 2.117 20 0 AEADLO COCSc1[nH+]cc2ccccn12 306158019 351903339 /nfs/dbraw/zinc/90/33/39/351903339.db2.gz MSOSQHLUTKBCPW-UHFFFAOYSA-N 1 2 194.259 2.030 20 0 AEADLO C[C@@H]1CC[N@H+](CCCF)CC1(F)F 306324328 351920734 /nfs/dbraw/zinc/92/07/34/351920734.db2.gz VXUOBWQMYLNKJR-MRVPVSSYSA-N 1 2 195.228 2.323 20 0 AEADLO C[C@@H]1CC[N@@H+](CCCF)CC1(F)F 306324328 351920738 /nfs/dbraw/zinc/92/07/38/351920738.db2.gz VXUOBWQMYLNKJR-MRVPVSSYSA-N 1 2 195.228 2.323 20 0 AEADLO c1cc(OCC2CCC2)cc[nH+]1 306720238 351958769 /nfs/dbraw/zinc/95/87/69/351958769.db2.gz ZEQGIIDZGSTZPJ-UHFFFAOYSA-N 1 2 163.220 2.261 20 0 AEADLO C[C@@H]1CC[C@@H](C)N1c1cccc[nH+]1 307332300 352004076 /nfs/dbraw/zinc/00/40/76/352004076.db2.gz ABEZSNUKWWRRLT-NXEZZACHSA-N 1 2 176.263 2.459 20 0 AEADLO C[C@@H]1CC[C@@H](CNc2cccc[nH+]2)O1 307309328 352002858 /nfs/dbraw/zinc/00/28/58/352002858.db2.gz FFJNRKFCZLCLCV-ZJUUUORDSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@@H]1CC[C@H](CNc2cccc[nH+]2)O1 307309323 352002876 /nfs/dbraw/zinc/00/28/76/352002876.db2.gz FFJNRKFCZLCLCV-NXEZZACHSA-N 1 2 192.262 2.061 20 0 AEADLO C[C@@H]1C[C@@H](Nc2cccc[nH+]2)CS1 307462650 352015383 /nfs/dbraw/zinc/01/53/83/352015383.db2.gz IEQFTVYETWLCQN-RKDXNWHRSA-N 1 2 194.303 2.388 20 0 AEADLO C[C@@H]1C[C@H](Nc2cccc[nH+]2)CS1 307462590 352015442 /nfs/dbraw/zinc/01/54/42/352015442.db2.gz IEQFTVYETWLCQN-BDAKNGLRSA-N 1 2 194.303 2.388 20 0 AEADLO CC[C@@H](C)N(C)c1cc[nH+]c(C)n1 307501859 352017382 /nfs/dbraw/zinc/01/73/82/352017382.db2.gz NPIRDNFYKXWIND-MRVPVSSYSA-N 1 2 179.267 2.020 20 0 AEADLO C[C@@H]1CSC[C@@H]1Nc1cccc[nH+]1 307562986 352022151 /nfs/dbraw/zinc/02/21/51/352022151.db2.gz LZICPTHGFBBEFZ-BDAKNGLRSA-N 1 2 194.303 2.245 20 0 AEADLO C[C@@H]1CSC[C@H]1Nc1cccc[nH+]1 307562989 352022313 /nfs/dbraw/zinc/02/23/13/352022313.db2.gz LZICPTHGFBBEFZ-RKDXNWHRSA-N 1 2 194.303 2.245 20 0 AEADLO CC(C)=CC[N@@H+]1CCC(F)(F)C1 307699909 352033370 /nfs/dbraw/zinc/03/33/70/352033370.db2.gz PJPCZLOARWRZHB-UHFFFAOYSA-N 1 2 175.222 2.294 20 0 AEADLO CC(C)=CC[N@H+]1CCC(F)(F)C1 307699909 352033373 /nfs/dbraw/zinc/03/33/73/352033373.db2.gz PJPCZLOARWRZHB-UHFFFAOYSA-N 1 2 175.222 2.294 20 0 AEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C 307747173 352037334 /nfs/dbraw/zinc/03/73/34/352037334.db2.gz XSCSAYBKZDJFKO-NXEZZACHSA-N 1 2 176.263 2.174 20 0 AEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C 307747172 352037594 /nfs/dbraw/zinc/03/75/94/352037594.db2.gz XSCSAYBKZDJFKO-AOOOYVTPSA-N 1 2 176.263 2.174 20 0 AEADLO CCc1nc(C[N@H+](C)C2CC2)cs1 308293930 352048497 /nfs/dbraw/zinc/04/84/97/352048497.db2.gz GUHRIIQHRFRRSB-UHFFFAOYSA-N 1 2 196.319 2.300 20 0 AEADLO CCc1nc(C[N@@H+](C)C2CC2)cs1 308293930 352048500 /nfs/dbraw/zinc/04/85/00/352048500.db2.gz GUHRIIQHRFRRSB-UHFFFAOYSA-N 1 2 196.319 2.300 20 0 AEADLO c1cc2[nH+]ccc(NCC3CC3)c2cn1 309079793 352054075 /nfs/dbraw/zinc/05/40/75/352054075.db2.gz OBCXZKKZOKCBDT-UHFFFAOYSA-N 1 2 199.257 2.452 20 0 AEADLO CN(Cc1ccncc1)c1cccc[nH+]1 334225498 352059130 /nfs/dbraw/zinc/05/91/30/352059130.db2.gz MCCFVHDYMNKFMF-UHFFFAOYSA-N 1 2 199.257 2.113 20 0 AEADLO c1ccc(N2CC[C@@H](C3CC3)C2)[nH+]c1 334336785 352065283 /nfs/dbraw/zinc/06/52/83/352065283.db2.gz UAMSIJJGWICEOU-LLVKDONJSA-N 1 2 188.274 2.318 20 0 AEADLO c1ccc(N2CC[C@H](C3CC3)C2)[nH+]c1 334336786 352065325 /nfs/dbraw/zinc/06/53/25/352065325.db2.gz UAMSIJJGWICEOU-NSHDSACASA-N 1 2 188.274 2.318 20 0 AEADLO Cc1nc(N2C[C@H](C)C[C@H]2C)cc[nH+]1 334435357 352069697 /nfs/dbraw/zinc/06/96/97/352069697.db2.gz ZDUUGMONTUMCJH-RKDXNWHRSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N2C[C@H](C)C[C@@H]2C)cc[nH+]1 334435352 352069907 /nfs/dbraw/zinc/06/99/07/352069907.db2.gz ZDUUGMONTUMCJH-BDAKNGLRSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N2C[C@@H](C)C[C@@H]2C)cc[nH+]1 334435356 352069943 /nfs/dbraw/zinc/06/99/43/352069943.db2.gz ZDUUGMONTUMCJH-IUCAKERBSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1nc(N2C[C@@H](C)C[C@H]2C)cc[nH+]1 334435355 352070231 /nfs/dbraw/zinc/07/02/31/352070231.db2.gz ZDUUGMONTUMCJH-DTWKUNHWSA-N 1 2 191.278 2.020 20 0 AEADLO Cc1cc(N2CCC2)nc(C(C)C)[nH+]1 334457486 352070732 /nfs/dbraw/zinc/07/07/32/352070732.db2.gz INZLLUGMYCUXAU-UHFFFAOYSA-N 1 2 191.278 2.119 20 0 AEADLO c1ccc(N2C[C@H]3CCC[C@H]3C2)[nH+]c1 334789579 352082150 /nfs/dbraw/zinc/08/21/50/352082150.db2.gz XTEKDPASNVWFSP-PHIMTYICSA-N 1 2 188.274 2.318 20 0 AEADLO c1ccc(N2C[C@@H]3CCC[C@H]3C2)[nH+]c1 334789581 352082314 /nfs/dbraw/zinc/08/23/14/352082314.db2.gz XTEKDPASNVWFSP-QWRGUYRKSA-N 1 2 188.274 2.318 20 0 AEADLO c1ccc(N2C[C@H]3CCC[C@@H]3C2)[nH+]c1 334789577 352082343 /nfs/dbraw/zinc/08/23/43/352082343.db2.gz XTEKDPASNVWFSP-GHMZBOCLSA-N 1 2 188.274 2.318 20 0 AEADLO c1ccc(NC[C@@H]2CC23CC3)[nH+]c1 334970324 352086263 /nfs/dbraw/zinc/08/62/63/352086263.db2.gz UYJXDFCKFATECV-VIFPVBQESA-N 1 2 174.247 2.294 20 0 AEADLO c1cc2[nH+]ccc(N3CCCC3)c2cn1 335163890 352090394 /nfs/dbraw/zinc/09/03/94/352090394.db2.gz NJYKYOUBQUGTBF-UHFFFAOYSA-N 1 2 199.257 2.230 20 0 AEADLO C[C@@H](c1csnn1)[NH+]1CCCCC1 335584880 352105380 /nfs/dbraw/zinc/10/53/80/352105380.db2.gz WFFCVAKNDQCNFY-QMMMGPOBSA-N 1 2 197.307 2.085 20 0 AEADLO c1cc2[nH+]ccc(NC3CCC3)c2cn1 335605375 352107030 /nfs/dbraw/zinc/10/70/30/352107030.db2.gz WDOAZHFOZHCMRB-UHFFFAOYSA-N 1 2 199.257 2.016 20 0 AEADLO c1ccc(N2CCC3(CCC3)C2)[nH+]c1 335727017 352110694 /nfs/dbraw/zinc/11/06/94/352110694.db2.gz QJFHOFKNTHBKFQ-UHFFFAOYSA-N 1 2 188.274 2.462 20 0 AEADLO C[N@H+](Cc1ncccc1Cl)C1CC1 528354587 352176638 /nfs/dbraw/zinc/17/66/38/352176638.db2.gz WQBRGECPWNEDNK-UHFFFAOYSA-N 1 2 196.681 2.329 20 0 AEADLO C[N@@H+](Cc1ncccc1Cl)C1CC1 528354587 352176641 /nfs/dbraw/zinc/17/66/41/352176641.db2.gz WQBRGECPWNEDNK-UHFFFAOYSA-N 1 2 196.681 2.329 20 0 AEADLO 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152.241 2.319 20 0 AEADLO C[C@H]1C[C@@H](C)N(c2cccc[nH+]2)C1 202216796 375409991 /nfs/dbraw/zinc/40/99/91/375409991.db2.gz KZCIBIHIXMZMQX-VHSXEESVSA-N 1 2 176.263 2.316 20 0 AEADLO C[C@@H]1C[C@@H](C)N(c2cccc[nH+]2)C1 202216771 375410020 /nfs/dbraw/zinc/41/00/20/375410020.db2.gz KZCIBIHIXMZMQX-NXEZZACHSA-N 1 2 176.263 2.316 20 0 AEADLO C[C@H]1C[C@@H](C)CN1c1cccc[nH+]1 202216724 375410091 /nfs/dbraw/zinc/41/00/91/375410091.db2.gz KZCIBIHIXMZMQX-ZJUUUORDSA-N 1 2 176.263 2.316 20 0 AEADLO C[C@H]1C[C@H](C)N(c2cccc[nH+]2)C1 202216751 375410121 /nfs/dbraw/zinc/41/01/21/375410121.db2.gz KZCIBIHIXMZMQX-UWVGGRQHSA-N 1 2 176.263 2.316 20 0 AEADLO CC(F)(F)C[NH2+]Cc1cccs1 328210060 375480577 /nfs/dbraw/zinc/48/05/77/375480577.db2.gz VCWLWNVVXMTFHN-UHFFFAOYSA-N 1 2 191.246 2.493 20 0 AEADLO CC[C@@H]([NH2+]Cc1cc[nH]c1)C(F)F 648619236 375723704 /nfs/dbraw/zinc/72/37/04/375723704.db2.gz HZUNMWQJMLEZGJ-MRVPVSSYSA-N 1 2 188.221 2.148 20 0 AEADLO CC[C@H]([NH2+]Cc1cc[nH]c1)C(F)F 648619237 375723892 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