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c1cnc2c(c1)CC[C@H]2CNc1nc(C2CCCC2)ns1 ZINC000623284303 401486579 /nfs/dbraw/zinc/48/65/79/401486579.db2.gz CQHWFXRQYREIEX-ZDUSSCGKSA-N 0 2 300.431 3.155 10 0 DGAELN O=C1N=NC(SCc2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000187637852 165099376 /nfs/dbraw/zinc/09/93/76/165099376.db2.gz MMFVLLFPHFEWGQ-UHFFFAOYSA-N 0 2 308.750 3.111 10 0 DGAELN O=c1[nH]nc(SCc2cc(-c3ccc(Cl)cc3)no2)[nH]1 ZINC000187637852 165099377 /nfs/dbraw/zinc/09/93/77/165099377.db2.gz MMFVLLFPHFEWGQ-UHFFFAOYSA-N 0 2 308.750 3.111 10 0 DGAELN O=C1N=NC(SCc2csc(-c3ccc(F)cc3)n2)N1 ZINC000187634192 165099419 /nfs/dbraw/zinc/09/94/19/165099419.db2.gz ZTKRXFXRGIYBHU-UHFFFAOYSA-N 0 2 308.363 3.065 10 0 DGAELN O=c1[nH]nc(SCc2csc(-c3ccc(F)cc3)n2)[nH]1 ZINC000187634192 165099421 /nfs/dbraw/zinc/09/94/21/165099421.db2.gz ZTKRXFXRGIYBHU-UHFFFAOYSA-N 0 2 308.363 3.065 10 0 DGAELN Cc1cccc(CCNC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184349856 228383245 /nfs/dbraw/zinc/38/32/45/228383245.db2.gz ODOCJZIDIJOYIK-UHFFFAOYSA-N 0 2 307.752 3.466 10 0 DGAELN 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FWOVPWYJIFXLQM-HNNXBMFYSA-N 0 2 321.428 3.200 10 0 DGAELN Cc1ccc(CCNC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000194719006 432570309 /nfs/dbraw/zinc/57/03/09/432570309.db2.gz IKGAKRIKCCUBEW-UHFFFAOYSA-N 0 2 307.752 3.466 10 0 DGAELN CC(F)(F)c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000187346147 432659910 /nfs/dbraw/zinc/65/99/10/432659910.db2.gz BUXUJTSWXZIKMJ-UHFFFAOYSA-N 0 2 302.284 3.322 10 0 DGAELN Cc1c(Cl)c(CSc2n[nH]c(=O)[nH]2)nc2ccccc12 ZINC000187636588 432675196 /nfs/dbraw/zinc/67/51/96/432675196.db2.gz LFIRYJLJJGXYNX-UHFFFAOYSA-N 0 2 306.778 3.313 10 0 DGAELN Cc1ccsc1-c1nc(=NC(=O)N2C[C@H]3CCC[C@H]32)s[nH]1 ZINC000329926234 432883257 /nfs/dbraw/zinc/88/32/57/432883257.db2.gz KLTFRYUYKKVLIE-NXEZZACHSA-N 0 2 320.443 3.013 10 0 DGAELN O=C([O-])[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(F)c1 ZINC000417551440 434434055 /nfs/dbraw/zinc/43/40/55/434434055.db2.gz AHLDMQDIHGORLE-AWEZNQCLSA-N 0 2 320.389 3.465 10 0 DGAELN Cc1cccc2c(=O)c(C(=O)N3CCCC[C@H]3C(F)F)c[nH]c12 ZINC000407970632 434532153 /nfs/dbraw/zinc/53/21/53/434532153.db2.gz LFBGEGWKMXLLKZ-ZDUSSCGKSA-N 0 2 320.339 3.096 10 0 DGAELN Cc1ccc2[nH]c(CN=c3nc(C(C)(C)C)[nH]s3)nc2c1 ZINC000477354069 435267749 /nfs/dbraw/zinc/26/77/49/435267749.db2.gz NNSYIKSPCXSUEL-UHFFFAOYSA-N 0 2 301.419 3.054 10 0 DGAELN Cc1ccc2nc(CN=c3nc(C(C)(C)C)[nH]s3)[nH]c2c1 ZINC000477354069 435267753 /nfs/dbraw/zinc/26/77/53/435267753.db2.gz NNSYIKSPCXSUEL-UHFFFAOYSA-N 0 2 301.419 3.054 10 0 DGAELN CC(C)(C)c1nc(=NCC2CCN(c3ccccc3)CC2)[nH]o1 ZINC000480517267 435381529 /nfs/dbraw/zinc/38/15/29/435381529.db2.gz YCIWCTYGCZYSKT-UHFFFAOYSA-N 0 2 314.433 3.118 10 0 DGAELN Cc1onc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c1C(=O)[O-] ZINC000518783086 435652299 /nfs/dbraw/zinc/65/22/99/435652299.db2.gz YUSXDIMKDSYADV-UHFFFAOYSA-N 0 2 318.373 3.100 10 0 DGAELN Cc1onc(C[N@H+](C)Cc2cccc(OC(C)C)c2)c1C(=O)[O-] ZINC000518783086 435652304 /nfs/dbraw/zinc/65/23/04/435652304.db2.gz YUSXDIMKDSYADV-UHFFFAOYSA-N 0 2 318.373 3.100 10 0 DGAELN O=C(N[C@@H]1CCOc2ccccc21)c1cc(F)c(F)c(O)c1F ZINC000183317241 303885397 /nfs/dbraw/zinc/88/53/97/303885397.db2.gz UYUPBLNIOMZLFV-LLVKDONJSA-N 0 2 323.270 3.063 10 0 DGAELN CN(C[C@@H]1CC=CCC1)C(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000541468317 314016346 /nfs/dbraw/zinc/01/63/46/314016346.db2.gz ICLRYGORZPITNZ-OAHLLOKOSA-N 0 2 322.412 3.386 10 0 DGAELN C[C@H]1C[C@@H]1CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544636563 314203949 /nfs/dbraw/zinc/20/39/49/314203949.db2.gz RJQITISLMOGTQT-WCBMZHEXSA-N 0 2 322.821 3.058 10 0 DGAELN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000547523857 314377620 /nfs/dbraw/zinc/37/76/20/314377620.db2.gz QKVQSLZEWBDTAZ-HZSPNIEDSA-N 0 2 321.469 3.037 10 0 DGAELN COC(=O)c1cccc(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184180861 534276912 /nfs/dbraw/zinc/27/69/12/534276912.db2.gz WANCEEYLYIYICO-UHFFFAOYSA-N 0 2 323.707 3.224 10 0 DGAELN CCc1ccc(OCc2n[nH]c(=S)o2)c(Br)c1 ZINC000026469872 524007720 /nfs/dbraw/zinc/00/77/20/524007720.db2.gz MHMKQRUFXRTYRI-UHFFFAOYSA-N 0 2 315.192 3.262 10 0 DGAELN CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000179920436 527362413 /nfs/dbraw/zinc/36/24/13/527362413.db2.gz GCVNASSLCZUHGS-SNVBAGLBSA-N 0 2 318.200 3.075 10 0 DGAELN O=C(Nc1cc(C(F)(F)F)ccn1)c1c(O)cc(F)cc1F ZINC000180582647 546146842 /nfs/dbraw/zinc/14/68/42/546146842.db2.gz FHPCAGQGFWHYJC-UHFFFAOYSA-N 0 2 318.201 3.337 10 0 DGAELN Cn1nc(C2CCCC2)cc1NC(=O)c1c(O)cc(F)cc1F ZINC000184034247 546179708 /nfs/dbraw/zinc/17/97/08/546179708.db2.gz CCRROJQICYCINC-UHFFFAOYSA-N 0 2 321.327 3.314 10 0 DGAELN C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1cccs1 ZINC000184910486 546185786 /nfs/dbraw/zinc/18/57/86/546185786.db2.gz IJWKGCWARXFHLP-ZCFIWIBFSA-N 0 2 301.289 3.362 10 0 DGAELN COc1ccccc1S(=O)(=O)Nc1cccc(C)c1C(C)=O ZINC000129292205 625580747 /nfs/dbraw/zinc/58/07/47/625580747.db2.gz COQKBFLYEQQGRG-UHFFFAOYSA-N 0 2 319.382 3.007 10 0 DGAELN CCCCc1cc(NS(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000255386815 655724113 /nfs/dbraw/zinc/72/41/13/655724113.db2.gz JFXKQPZGVQXTPI-KTKRTIGZSA-N 0 2 323.393 3.304 10 0 DGAELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2ncccc2c1 ZINC000182087834 660033222 /nfs/dbraw/zinc/03/32/22/660033222.db2.gz MFDIUWORBWHACL-UHFFFAOYSA-N 0 2 309.281 3.101 10 0 DGAELN