smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000160599556 546056201 /nfs/dbraw/zinc/05/62/01/546056201.db2.gz SZTJFRKDETXBIX-ZCFIWIBFSA-N -1 3 368.050 2.402 10 30 FEEEHM CCN1CCC[C@@H](CN(C)C(=O)N=c2cn[n-]s2)[C@@H]1c1cnn(C)c1 ZINC000330261585 673087832 /nfs/dbraw/zinc/08/78/32/673087832.db2.gz PFMRUUCUZQZAQX-SWLSCSKDSA-N -1 3 363.491 2.222 10 30 FEEEHM CN(C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000124101209 543800621 /nfs/dbraw/zinc/80/06/21/543800621.db2.gz LLDDVTYDJYKEML-INIZCTEOSA-N -1 3 365.405 2.418 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000093928826 542946288 /nfs/dbraw/zinc/94/62/88/542946288.db2.gz NFCZWBYIGVXQOG-GFCCVEGCSA-N -1 3 357.501 2.033 10 30 FEEEHM CCc1nc(C2([N-]S(=O)(=O)Cc3cccc(C#N)c3)CCCC2)no1 ZINC000177607824 546652205 /nfs/dbraw/zinc/65/22/05/546652205.db2.gz HYNVCIWEQJCFJU-UHFFFAOYSA-N -1 3 360.439 2.393 10 30 FEEEHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nnc2n1CCCC2 ZINC000185216843 547953266 /nfs/dbraw/zinc/95/32/66/547953266.db2.gz DISLOHJCMXNPAF-SNVBAGLBSA-N -1 3 365.846 2.179 10 30 FEEEHM CCC[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000162082198 327016581 /nfs/dbraw/zinc/01/65/81/327016581.db2.gz CHWPIIJJHPTDOZ-OAHLLOKOSA-N -1 3 352.456 2.488 10 30 FEEEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126126202 326483633 /nfs/dbraw/zinc/48/36/33/326483633.db2.gz LCQSEEIBZATONT-GFCCVEGCSA-N -1 3 365.846 2.179 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000182919652 547571789 /nfs/dbraw/zinc/57/17/89/547571789.db2.gz GBMFNHXUDSZZPF-SSDOTTSWSA-N -1 3 351.197 2.177 10 30 FEEEHM COc1cccc(C=[NH+][N-]c2nnc(SCC(=O)NC(C)(C)C)[n-]2)c1 ZINC000005901144 525773702 /nfs/dbraw/zinc/77/37/02/525773702.db2.gz QJEYXPNQKFVLPC-RQZCQDPDSA-N -1 3 362.459 2.266 10 30 FEEEHM COc1cccc(C=NNc2nnc(SCC(=O)NC(C)(C)C)[n-]2)c1 ZINC000005901144 525773711 /nfs/dbraw/zinc/77/37/11/525773711.db2.gz QJEYXPNQKFVLPC-RQZCQDPDSA-N -1 3 362.459 2.266 10 30 FEEEHM CC[C@@H](CC#N)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000184162851 547778913 /nfs/dbraw/zinc/77/89/13/547778913.db2.gz GYACHHGQZGQTAB-LBPRGKRZSA-N -1 3 366.377 2.003 10 30 FEEEHM C=CCn1c(=O)c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2[n-]c1=S ZINC000195317072 548620891 /nfs/dbraw/zinc/62/08/91/548620891.db2.gz YBKZPJIGQQTOIW-CQSZACIVSA-N -1 3 370.478 2.165 10 30 FEEEHM C=C(C)CN(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000183603015 547688512 /nfs/dbraw/zinc/68/85/12/547688512.db2.gz INUATLXUIRMJGB-UHFFFAOYSA-N -1 3 353.378 2.229 10 30 FEEEHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000162058343 327015872 /nfs/dbraw/zinc/01/58/72/327015872.db2.gz LTVWSVQJFMPBAA-CYBMUJFWSA-N -1 3 356.419 2.486 10 30 FEEEHM CCc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)CCCC2)no1 ZINC000177606922 327532871 /nfs/dbraw/zinc/53/28/71/327532871.db2.gz LRUUVQVTEVXTDK-UHFFFAOYSA-N -1 3 364.402 2.391 10 30 FEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113896827 325864569 /nfs/dbraw/zinc/86/45/69/325864569.db2.gz WSXRTMQKJBCAMP-QGZVFWFLSA-N -1 3 353.426 2.273 10 30 FEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379689907 558602454 /nfs/dbraw/zinc/60/24/54/558602454.db2.gz AJXZVPFDNPHTFZ-QGZVFWFLSA-N -1 3 370.478 2.286 10 30 FEEEHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nnc2n1CCCC2 ZINC000126871076 326496520 /nfs/dbraw/zinc/49/65/20/326496520.db2.gz DHVDEFDEZUUVHR-JTQLQIEISA-N -1 3 365.846 2.179 10 30 FEEEHM COc1ccc(OC)c(S(=O)(=O)[N-]N=Cc2c[nH]c3ccccc23)c1 ZINC000254494632 549700496 /nfs/dbraw/zinc/70/04/96/549700496.db2.gz GPHKFILHCIUMLK-UHFFFAOYSA-N -1 3 359.407 2.498 10 30 FEEEHM COc1ccc(OC)c(S(=O)(=O)[N-]/N=C/c2c[nH]c3ccccc23)c1 ZINC000006736242 263346177 /nfs/dbraw/zinc/34/61/77/263346177.db2.gz GPHKFILHCIUMLK-YBFXNURJSA-N -1 3 359.407 2.498 10 30 FEEEHM Cc1cnn([C@H]2CCCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000109684149 325674891 /nfs/dbraw/zinc/67/48/91/325674891.db2.gz AMTUCKLZNAOTRG-INIZCTEOSA-N -1 3 367.453 2.165 10 30 FEEEHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000160277550 546025721 /nfs/dbraw/zinc/02/57/21/546025721.db2.gz ZCRFNFDQBCLQHG-CYBMUJFWSA-N -1 3 357.426 2.235 10 30 FEEEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCCCC#N ZINC000171870375 546229162 /nfs/dbraw/zinc/22/91/62/546229162.db2.gz OIEMMZPUNXAVAQ-UHFFFAOYSA-N -1 3 366.377 2.004 10 30 FEEEHM CC(C)[C@@H]1C[C@@]2(/C=C3/[N-]c4ccccc4C3=O)NC(=O)[C@@]13CCCN3C2=O ZINC000006036025 539421044 /nfs/dbraw/zinc/42/10/44/539421044.db2.gz VUYPQWOUMOQTJW-QYWNKFSKSA-N -1 3 365.433 2.084 10 30 FEEEHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000162058206 327015921 /nfs/dbraw/zinc/01/59/21/327015921.db2.gz LTVWSVQJFMPBAA-ZDUSSCGKSA-N -1 3 356.419 2.486 10 30 FEEEHM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2[n-]c1=S ZINC000170859501 546180915 /nfs/dbraw/zinc/18/09/15/546180915.db2.gz BFXOBRNKVSZGTL-ZDUSSCGKSA-N -1 3 358.467 2.021 10 30 FEEEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180125773 327672699 /nfs/dbraw/zinc/67/26/99/327672699.db2.gz AXZLNFNVOWAHJD-LBPRGKRZSA-N -1 3 365.846 2.179 10 30 FEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052853082 540493938 /nfs/dbraw/zinc/49/39/38/540493938.db2.gz UNPDQPXQMLFZRU-IBGZPJMESA-N -1 3 366.465 2.215 10 30 FEEEHM COc1cc(/C=C2\C(=O)ON=C2C)cc(I)c1[O-] ZINC000059109315 212015823 /nfs/dbraw/zinc/01/58/23/212015823.db2.gz WTLZLSNRKMSWLU-BAQGIRSFSA-N -1 3 359.119 2.322 10 30 FEEEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126125980 543919694 /nfs/dbraw/zinc/91/96/94/543919694.db2.gz LCQSEEIBZATONT-LBPRGKRZSA-N -1 3 365.846 2.179 10 30 FEEEHM CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000189245933 328137172 /nfs/dbraw/zinc/13/71/72/328137172.db2.gz AHBUTDLADQLYHV-MRXNPFEDSA-N -1 3 350.422 2.253 10 30 FEEEHM C/C(=N\[O-])c1cccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1 ZINC000111370361 543399769 /nfs/dbraw/zinc/39/97/69/543399769.db2.gz YBRZKPVTDONBOC-RWVGPTSPSA-N -1 3 369.465 2.447 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000160879407 546081034 /nfs/dbraw/zinc/08/10/34/546081034.db2.gz KHCAWFZRKYFJFX-SSDOTTSWSA-N -1 3 351.211 2.360 10 30 FEEEHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nnc2n1CCCC2 ZINC000185216823 547953190 /nfs/dbraw/zinc/95/31/90/547953190.db2.gz DISLOHJCMXNPAF-JTQLQIEISA-N -1 3 365.846 2.179 10 30 FEEEHM CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-] ZINC000013680278 220084523 /nfs/dbraw/zinc/08/45/23/220084523.db2.gz NQPIHEUUYRAYII-MRXNPFEDSA-N -1 3 364.423 2.287 10 30 FEEEHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nnc2n1CCCC2 ZINC000126871310 543960657 /nfs/dbraw/zinc/96/06/57/543960657.db2.gz DHVDEFDEZUUVHR-SNVBAGLBSA-N -1 3 365.846 2.179 10 30 FEEEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000126125746 326483736 /nfs/dbraw/zinc/48/37/36/326483736.db2.gz UBGRJSFEFAGVKS-GFCCVEGCSA-N -1 3 365.846 2.179 10 30 FEEEHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379689905 558602722 /nfs/dbraw/zinc/60/27/22/558602722.db2.gz AJXZVPFDNPHTFZ-KRWDZBQOSA-N -1 3 370.478 2.286 10 30 FEEEHM Cn1c2cn(/N=C/c3ccccc3[O-])c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000008375928 539485888 /nfs/dbraw/zinc/48/58/88/539485888.db2.gz POXLPAYODGZNNX-WSDLNYQXSA-N -1 3 374.400 2.294 10 30 FEEEHM C=CCn1c(=O)c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2[n-]c1=S ZINC000195317080 548620563 /nfs/dbraw/zinc/62/05/63/548620563.db2.gz YBKZPJIGQQTOIW-AWEZNQCLSA-N -1 3 370.478 2.165 10 30 FEEEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000193820699 328397138 /nfs/dbraw/zinc/39/71/38/328397138.db2.gz NAXZUYBHRBFXGV-LBPRGKRZSA-N -1 3 361.389 2.340 10 30 FEEEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000156248384 545611119 /nfs/dbraw/zinc/61/11/19/545611119.db2.gz ZATAJMDCDTWZFD-INIZCTEOSA-N -1 3 358.419 2.449 10 30 FEEEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185124394 327900993 /nfs/dbraw/zinc/90/09/93/327900993.db2.gz UZKPEWKYAQLPMX-GFCCVEGCSA-N -1 3 365.846 2.179 10 30 FEEEHM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2[n-]c1=S ZINC000170859499 546180444 /nfs/dbraw/zinc/18/04/44/546180444.db2.gz BFXOBRNKVSZGTL-CYBMUJFWSA-N -1 3 358.467 2.021 10 30 FEEEHM N#CCS(=O)(=O)[N-]c1ccc(Br)cc1Br ZINC000044509926 206069911 /nfs/dbraw/zinc/06/99/11/206069911.db2.gz WCUNDMSVHHWRQU-UHFFFAOYSA-N -1 3 354.023 2.477 10 30 FEEEHM COc1ccc(S(=O)(=O)NN=Cc2cc(Cl)ccc2[O-])c(OC)c1 ZINC000254708394 549701353 /nfs/dbraw/zinc/70/13/53/549701353.db2.gz FFFMYDGRXZWELM-UHFFFAOYSA-N -1 3 370.814 2.375 10 30 FEEEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000126125491 543919879 /nfs/dbraw/zinc/91/98/79/543919879.db2.gz UBGRJSFEFAGVKS-LBPRGKRZSA-N -1 3 365.846 2.179 10 30 FEEEHM CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000189245900 328137182 /nfs/dbraw/zinc/13/71/82/328137182.db2.gz AHBUTDLADQLYHV-INIZCTEOSA-N -1 3 350.422 2.253 10 30 FEEEHM CC[C@H](CC#N)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000184162867 547778459 /nfs/dbraw/zinc/77/84/59/547778459.db2.gz GYACHHGQZGQTAB-GFCCVEGCSA-N -1 3 366.377 2.003 10 30 FEEEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000156248747 545611092 /nfs/dbraw/zinc/61/10/92/545611092.db2.gz UOWRSOJJYKPHDC-OAHLLOKOSA-N -1 3 362.382 2.280 10 30 FEEEHM CCOc1cccc(/C=N/[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000102346107 521317264 /nfs/dbraw/zinc/31/72/64/521317264.db2.gz XUIFNAGFIAXLPA-MHWRWJLKSA-N -1 3 365.367 2.012 10 30 FEEEHM CN(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000124101415 326447722 /nfs/dbraw/zinc/44/77/22/326447722.db2.gz LLDDVTYDJYKEML-MRXNPFEDSA-N -1 3 365.405 2.418 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000188104287 548271597 /nfs/dbraw/zinc/27/15/97/548271597.db2.gz FIFZVRQWRULKSL-WCQYABFASA-N -1 3 358.847 2.336 10 30 FEEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nnc2n1CCCC2 ZINC000126870859 543960808 /nfs/dbraw/zinc/96/08/08/543960808.db2.gz DGAGDQPYMZYYPN-SNVBAGLBSA-N -1 3 365.846 2.179 10 30 FEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113896828 325864676 /nfs/dbraw/zinc/86/46/76/325864676.db2.gz WSXRTMQKJBCAMP-KRWDZBQOSA-N -1 3 353.426 2.273 10 30 FEEEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185124376 547936768 /nfs/dbraw/zinc/93/67/68/547936768.db2.gz UZKPEWKYAQLPMX-LBPRGKRZSA-N -1 3 365.846 2.179 10 30 FEEEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C#N ZINC000160681532 672292839 /nfs/dbraw/zinc/29/28/39/672292839.db2.gz HKPRGVABKMDBBJ-ZCFIWIBFSA-N -1 3 353.625 2.301 10 30 FEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052853083 540494250 /nfs/dbraw/zinc/49/42/50/540494250.db2.gz UNPDQPXQMLFZRU-LJQANCHMSA-N -1 3 366.465 2.215 10 30 FEEEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000156248633 545611158 /nfs/dbraw/zinc/61/11/58/545611158.db2.gz UOWRSOJJYKPHDC-HNNXBMFYSA-N -1 3 362.382 2.280 10 30 FEEEHM Cc1cnn([C@@H]2CCCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000109684145 325674858 /nfs/dbraw/zinc/67/48/58/325674858.db2.gz AMTUCKLZNAOTRG-MRXNPFEDSA-N -1 3 367.453 2.165 10 30 FEEEHM C/C(=N\[O-])c1cccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c1 ZINC000111370358 543399818 /nfs/dbraw/zinc/39/98/18/543399818.db2.gz YBRZKPVTDONBOC-LCMCWVSWSA-N -1 3 369.465 2.447 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000153534731 544787660 /nfs/dbraw/zinc/78/76/60/544787660.db2.gz LHRIXPAKCVVSPU-MRVPVSSYSA-N -1 3 363.233 2.047 10 30 FEEEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000193820709 328397054 /nfs/dbraw/zinc/39/70/54/328397054.db2.gz NAXZUYBHRBFXGV-GFCCVEGCSA-N -1 3 361.389 2.340 10 30 FEEEHM N#Cc1ccc(/C=N/[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006047467 539421214 /nfs/dbraw/zinc/42/12/14/539421214.db2.gz GZDMFICLYXNQNF-RQZCQDPDSA-N -1 3 364.770 2.432 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000188104243 548271727 /nfs/dbraw/zinc/27/17/27/548271727.db2.gz FIFZVRQWRULKSL-DGCLKSJQSA-N -1 3 358.847 2.336 10 30 FEEEHM O=C(CCCC1CCN(S(=O)(=O)c2ccccc2Cl)CC1)N[O-] ZINC000036475711 539990276 /nfs/dbraw/zinc/99/02/76/539990276.db2.gz XUNUNGRNKHMOHY-UHFFFAOYSA-N -1 3 360.863 2.416 10 30 FEEEHM C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000125826739 672017251 /nfs/dbraw/zinc/01/72/51/672017251.db2.gz ZIPIYGPDHVWTCX-SSDOTTSWSA-N -1 3 362.238 2.076 10 30 FEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092353093 542859135 /nfs/dbraw/zinc/85/91/35/542859135.db2.gz JCUZNJZSDKJPIH-LLVKDONJSA-N -1 3 357.501 2.033 10 30 FEEEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180125791 547055805 /nfs/dbraw/zinc/05/58/05/547055805.db2.gz AXZLNFNVOWAHJD-GFCCVEGCSA-N -1 3 365.846 2.179 10 30 FEEEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000156248508 326823389 /nfs/dbraw/zinc/82/33/89/326823389.db2.gz ZATAJMDCDTWZFD-MRXNPFEDSA-N -1 3 358.419 2.449 10 30 FEEEHM CCC[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000162082066 327016386 /nfs/dbraw/zinc/01/63/86/327016386.db2.gz CHWPIIJJHPTDOZ-HNNXBMFYSA-N -1 3 352.456 2.488 10 30 FEEEHM C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000040362418 540009803 /nfs/dbraw/zinc/00/98/03/540009803.db2.gz SJZJCXBUGVGBTA-ZCFIWIBFSA-N -1 3 368.050 2.402 10 30 FEEEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nnc2n1CCCC2 ZINC000126870607 326496518 /nfs/dbraw/zinc/49/65/18/326496518.db2.gz DGAGDQPYMZYYPN-JTQLQIEISA-N -1 3 365.846 2.179 10 30 FEEEHM