smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c1O ZINC000000598406 210249098 /nfs/dbraw/zinc/24/90/98/210249098.db2.gz BLJDUFLWURYBFO-UHFFFAOYSA-N 0 0 367.898 5.093 50 10 FKCARN COc1ccc(Br)cc1C1Nc2cccc3cccc(c32)N1 ZINC000000624821 210251739 /nfs/dbraw/zinc/25/17/39/210251739.db2.gz LPBZRZDSWDWZGC-UHFFFAOYSA-N 0 0 355.235 5.147 50 10 FKCARN CN(C)c1ccc([C@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000000630704 522250529 /nfs/dbraw/zinc/25/05/29/522250529.db2.gz HYJWDSUGACWKLB-HSZRJFAPSA-N 0 0 354.453 5.168 50 10 FKCARN CN(C)c1ccc([C@@H]2C=Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000000630705 522243857 /nfs/dbraw/zinc/24/38/57/522243857.db2.gz HYJWDSUGACWKLB-QHCPKHFHSA-N 0 0 354.453 5.168 50 10 FKCARN Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1 ZINC000000641914 570443096 /nfs/dbraw/zinc/44/30/96/570443096.db2.gz HYDATEKARGDBKU-UHFFFAOYSA-N 0 0 368.436 6.103 50 10 FKCARN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000000643518 570443538 /nfs/dbraw/zinc/44/35/38/570443538.db2.gz BMMOWLSNXSUEJP-UHFFFAOYSA-N 0 0 358.441 5.331 50 10 FKCARN O=C1c2ccccc2N[C@H](c2ccc(N3CCCC3)cc2)N1c1ccccc1 ZINC000000645845 527134016 /nfs/dbraw/zinc/13/40/16/527134016.db2.gz NFWYDJQKCAGPEK-QHCPKHFHSA-N 0 0 369.468 5.058 50 10 FKCARN O=C1c2ccccc2N[C@@H](c2ccc(N3CCCC3)cc2)N1c1ccccc1 ZINC000000645846 527134514 /nfs/dbraw/zinc/13/45/14/527134514.db2.gz NFWYDJQKCAGPEK-HSZRJFAPSA-N 0 0 369.468 5.058 50 10 FKCARN COc1ccc(Cl)c2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000000653862 219310716 /nfs/dbraw/zinc/31/07/16/219310716.db2.gz SCCMJLKLLDFBGV-TVTNDZMWSA-N 0 0 361.872 6.328 50 10 FKCARN Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000000658492 210258494 /nfs/dbraw/zinc/25/84/94/210258494.db2.gz HZYOUKHXCBYDBT-UHFFFAOYSA-N 0 0 369.833 5.337 50 10 aggregator FKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000000659312 210257549 /nfs/dbraw/zinc/25/75/49/210257549.db2.gz AEQDRMSMUYTEKJ-RVKKMQEKSA-N 0 0 360.682 5.929 50 10 FKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000000662668 210260272 /nfs/dbraw/zinc/26/02/72/210260272.db2.gz IQYGQJPGTOMWDO-IZIIKQMZSA-N 0 0 369.464 5.843 50 10 FKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000662669 203939421 /nfs/dbraw/zinc/93/94/21/203939421.db2.gz RZZXEWLABHHSFS-DAYGRLMNSA-N 0 0 371.234 5.184 50 10 FKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)c1 ZINC000000663267 570445362 /nfs/dbraw/zinc/44/53/62/570445362.db2.gz GUMYAJPIZJIQQG-VBQJREDUSA-N 0 0 360.335 5.440 50 10 FKCARN Cc1ccc(C)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000000668633 570445733 /nfs/dbraw/zinc/44/57/33/570445733.db2.gz SMVGLVQESZULKI-JOCHJYFZSA-N 0 0 355.441 5.154 50 10 FKCARN Cc1ccc(C)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000000668638 570445857 /nfs/dbraw/zinc/44/58/57/570445857.db2.gz SMVGLVQESZULKI-QFIPXVFZSA-N 0 0 355.441 5.154 50 10 FKCARN Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)S2)cc1 ZINC000000670324 570446249 /nfs/dbraw/zinc/44/62/49/570446249.db2.gz MYOCCJLMEGNNRY-UNOMPAQXSA-N 0 0 363.413 5.455 50 10 FKCARN Clc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000000678100 570448123 /nfs/dbraw/zinc/44/81/23/570448123.db2.gz BYQSQIUDLRGZCQ-JKIFEVAISA-N 0 0 360.682 5.929 50 10 FKCARN Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O ZINC000000684457 210262180 /nfs/dbraw/zinc/26/21/80/210262180.db2.gz FVNCTTVCJYWXDI-LAUBAEHRSA-N 0 0 362.454 5.004 50 10 FKCARN Cc1ccc(C)n1-c1ccccc1C1C=CN(C(=O)OC(C)(C)C)C=C1 ZINC000000692252 570450545 /nfs/dbraw/zinc/45/05/45/570450545.db2.gz CLOGJUWMHNOZNL-UHFFFAOYSA-N 0 0 350.462 5.456 50 10 FKCARN Cc1ccc(C2=C/C(=C/c3cccn3-c3ccccc3F)C(=O)O2)cc1C ZINC000000709267 219315040 /nfs/dbraw/zinc/31/50/40/219315040.db2.gz DLXYUFSHOIZMBB-AQTBWJFISA-N 0 0 359.400 5.215 50 10 FKCARN Cc1ccc(C2=C/C(=C/c3cccn3-c3ccccc3F)C(=O)O2)c(C)c1 ZINC000000709269 219315256 /nfs/dbraw/zinc/31/52/56/219315256.db2.gz UNFZDLRBTYHELA-LGMDPLHJSA-N 0 0 359.400 5.215 50 10 FKCARN CC1=C(C(=O)OCc2ccccc2)Sc2ccc(C(F)(F)F)cc2N1 ZINC000000709540 210264168 /nfs/dbraw/zinc/26/41/68/210264168.db2.gz IPYHHPHWASIDHV-UHFFFAOYSA-N 0 0 365.376 5.198 50 10 FKCARN CCOc1ccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000710991 219316407 /nfs/dbraw/zinc/31/64/07/219316407.db2.gz JSPOSJVHULFUFM-UHFFFAOYSA-N 0 0 356.381 5.182 50 10 FKCARN CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000000713733 523963858 /nfs/dbraw/zinc/96/38/58/523963858.db2.gz RSOMRBYLYQCXTN-QHCPKHFHSA-N 0 0 371.484 5.086 50 10 FKCARN CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000000713735 523964418 /nfs/dbraw/zinc/96/44/18/523964418.db2.gz RSOMRBYLYQCXTN-HSZRJFAPSA-N 0 0 371.484 5.086 50 10 FKCARN O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000714732 210263909 /nfs/dbraw/zinc/26/39/09/210263909.db2.gz YVPCPEBZCODHRV-JJRVBVJISA-N 0 0 361.228 5.728 50 10 FKCARN C[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)c(O)c3)c2C1 ZINC000000720360 206827167 /nfs/dbraw/zinc/82/71/67/206827167.db2.gz CVJGESOJVBNSES-AWEZNQCLSA-N 0 0 355.437 5.591 50 10 FKCARN C[C@@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)c(O)c3)c2C1 ZINC000000720361 219317116 /nfs/dbraw/zinc/31/71/16/219317116.db2.gz CVJGESOJVBNSES-CQSZACIVSA-N 0 0 355.437 5.591 50 10 FKCARN Oc1c([C@@H](c2ccccc2Cl)[NH+]2CCCCC2)ccc2cccnc21 ZINC000000723910 219316996 /nfs/dbraw/zinc/31/69/96/219316996.db2.gz VZXQSGXRQFYOHQ-HXUWFJFHSA-N 0 0 352.865 5.169 50 10 FKCARN O=C1c2ccccc2-c2onc3c2c1c(NC1CCCCC1)cc3Cl ZINC000000726155 210265359 /nfs/dbraw/zinc/26/53/59/210265359.db2.gz NAZTWGOQPYAEMF-UHFFFAOYSA-N 0 0 352.821 5.437 50 10 FKCARN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000000728142 570454089 /nfs/dbraw/zinc/45/40/89/570454089.db2.gz YICQHNQSRVIXEH-FCEWJHQRSA-N 0 0 356.263 5.284 50 10 FKCARN Clc1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 ZINC000000728472 219318674 /nfs/dbraw/zinc/31/86/74/219318674.db2.gz RJOWWPZTELHGRY-VEVIJQCQSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000000728474 568151986 /nfs/dbraw/zinc/15/19/86/568151986.db2.gz WDDNVTSHLNBIQB-SOZUMNATSA-N 0 0 350.676 6.473 50 10 FKCARN Cc1ccc(C)n1-c1ccc(Oc2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000000752033 570454365 /nfs/dbraw/zinc/45/43/65/570454365.db2.gz PNMHVDGRJONPAU-UHFFFAOYSA-N 0 0 356.469 6.294 50 10 FKCARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000000783517 570456256 /nfs/dbraw/zinc/45/62/56/570456256.db2.gz XULLAXYAWDWZNJ-LAPQFRIASA-N 0 0 373.283 5.778 50 10 FKCARN COc1cccc(CNc2ccc3c(c2)ncn3C2CCCCC2)c1OC ZINC000000789749 568229729 /nfs/dbraw/zinc/22/97/29/568229729.db2.gz IJVMLTFUDHYEFD-UHFFFAOYSA-N 0 0 365.477 5.171 50 10 FKCARN COc1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1OC ZINC000000789753 568229735 /nfs/dbraw/zinc/22/97/35/568229735.db2.gz NBJOYRIQSWANDD-UHFFFAOYSA-N 0 0 365.477 5.171 50 10 FKCARN Cc1ccc(C)n1-c1ccc(OC(=O)c2cccc(Br)c2)cc1 ZINC000000799736 219323076 /nfs/dbraw/zinc/32/30/76/219323076.db2.gz QGVZLXAUUOAXNV-UHFFFAOYSA-N 0 0 370.246 5.076 50 10 FKCARN CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000000801051 210273289 /nfs/dbraw/zinc/27/32/89/210273289.db2.gz ZKKAFFUMPPPNBY-QFIPXVFZSA-N 0 0 367.876 5.451 50 10 FKCARN CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21 ZINC000000801052 570456923 /nfs/dbraw/zinc/45/69/23/570456923.db2.gz ZKKAFFUMPPPNBY-JOCHJYFZSA-N 0 0 367.876 5.451 50 10 FKCARN CC(C)CC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000801053 570456929 /nfs/dbraw/zinc/45/69/29/570456929.db2.gz CKMNSLDZNGQQFK-QFIPXVFZSA-N 0 0 367.876 5.451 50 10 FKCARN CC(C)CC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000801054 210272378 /nfs/dbraw/zinc/27/23/78/210272378.db2.gz CKMNSLDZNGQQFK-JOCHJYFZSA-N 0 0 367.876 5.451 50 10 FKCARN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000000817993 210276026 /nfs/dbraw/zinc/27/60/26/210276026.db2.gz HOJYHCMZZJYMJX-LRDNONRASA-N 0 0 358.268 6.023 50 10 FKCARN COc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000000826092 203955648 /nfs/dbraw/zinc/95/56/48/203955648.db2.gz KALBJMORMNIBFA-RVKKMQEKSA-N 0 0 356.263 5.284 50 10 FKCARN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1 ZINC000000826368 206836122 /nfs/dbraw/zinc/83/61/22/206836122.db2.gz ZASYOPOSOBIROD-UHFFFAOYSA-N 0 0 371.440 5.122 50 10 FKCARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 ZINC000000826372 219327602 /nfs/dbraw/zinc/32/76/02/219327602.db2.gz YKMWSGJQCIYYAZ-UHFFFAOYSA-N 0 0 371.440 5.122 50 10 FKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000000831455 219327909 /nfs/dbraw/zinc/32/79/09/219327909.db2.gz ZPJKTDFWUDJHPJ-AHIWAGSCSA-N 0 0 361.228 5.728 50 10 FKCARN Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(N)cc2)cc1 ZINC000000838076 570459886 /nfs/dbraw/zinc/45/98/86/570459886.db2.gz GAXOPMJVJBPXRN-UHFFFAOYSA-N 0 0 368.436 6.103 50 10 FKCARN CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000000840990 219328788 /nfs/dbraw/zinc/32/87/88/219328788.db2.gz TXLKVSMOZZXCTK-UHFFFAOYSA-N 0 0 374.465 5.389 50 10 FKCARN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000000844618 206838872 /nfs/dbraw/zinc/83/88/72/206838872.db2.gz VGGQQFMDNDVTNO-QMHWCDLVSA-N 0 0 355.437 5.453 50 10 FKCARN CCc1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 ZINC000000845769 219329342 /nfs/dbraw/zinc/32/93/42/219329342.db2.gz JGSNEWDCQKHIMA-CPNJWEJPSA-N 0 0 373.481 5.179 50 10 FKCARN Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000845851 209379312 /nfs/dbraw/zinc/37/93/12/209379312.db2.gz HXJUJAIRVPURRH-UHFFFAOYSA-N 0 0 360.240 5.620 50 10 FKCARN COc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000000847295 570460423 /nfs/dbraw/zinc/46/04/23/570460423.db2.gz ZKVRMLMCPYWBNJ-RVKKMQEKSA-N 0 0 356.263 5.284 50 10 FKCARN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 ZINC000000848894 210281026 /nfs/dbraw/zinc/28/10/26/210281026.db2.gz IRFHZNUHWKNUKZ-JCGVRSQUSA-N 0 0 371.234 5.184 50 10 FKCARN CCc1c(-c2ccc(Br)cc2)cn2c1-c1ccc(C)n1CC2 ZINC000000849517 210281236 /nfs/dbraw/zinc/28/12/36/210281236.db2.gz PXCACVZWNTYPHV-UHFFFAOYSA-N 0 0 355.279 5.271 50 10 FKCARN Cc1ccc(Nc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000850328 206840593 /nfs/dbraw/zinc/84/05/93/206840593.db2.gz SBYIJBGGJVBVGV-UHFFFAOYSA-N 0 0 369.424 5.157 50 10 FKCARN CC(C)(C)c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000000850491 219330826 /nfs/dbraw/zinc/33/08/26/219330826.db2.gz MWSHGAFQBVPKER-UHFFFAOYSA-N 0 0 369.420 6.129 50 10 FKCARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000000851029 570460714 /nfs/dbraw/zinc/46/07/14/570460714.db2.gz PKAWVAYJGJHNQI-SIFCLUCFSA-N 0 0 373.283 5.778 50 10 FKCARN Cc1ccc(-c2ccc(C=C3SC(NCc4ccccc4)=NC3=O)o2)cc1 ZINC000000851132 219330992 /nfs/dbraw/zinc/33/09/92/219330992.db2.gz LSFPVFQDXCEJCR-DEDYPNTBSA-N 0 0 374.465 5.015 50 10 FKCARN CCCC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000855797 210281646 /nfs/dbraw/zinc/28/16/46/210281646.db2.gz ZNZNMOOJUMIKCL-NRFANRHFSA-N 0 0 353.849 5.205 50 10 FKCARN CCCC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000855798 570461111 /nfs/dbraw/zinc/46/11/11/570461111.db2.gz ZNZNMOOJUMIKCL-OAQYLSRUSA-N 0 0 353.849 5.205 50 10 FKCARN CCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1 ZINC000000860980 571094553 /nfs/dbraw/zinc/09/45/53/571094553.db2.gz XDOLHGQIESJYPU-UHFFFAOYSA-N 0 0 373.456 5.045 50 10 FKCARN COc1ccc(C2Nc3cccc4cccc(c43)N2)cc1Br ZINC000000863885 203959341 /nfs/dbraw/zinc/95/93/41/203959341.db2.gz QWXCECQPTQHCKS-UHFFFAOYSA-N 0 0 355.235 5.147 50 10 FKCARN CCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O ZINC000000869238 571106252 /nfs/dbraw/zinc/10/62/52/571106252.db2.gz UWDWJZPBQFCTAQ-NRFANRHFSA-N 0 0 362.473 5.070 50 10 FKCARN CCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O ZINC000000869239 571106237 /nfs/dbraw/zinc/10/62/37/571106237.db2.gz UWDWJZPBQFCTAQ-OAQYLSRUSA-N 0 0 362.473 5.070 50 10 FKCARN Cc1ccc([C@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1 ZINC000000869248 203958797 /nfs/dbraw/zinc/95/87/97/203958797.db2.gz VXOYNYANFXYNKY-NRFANRHFSA-N 0 0 374.484 5.035 50 10 FKCARN Cc1ccc([C@@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2O)cc1 ZINC000000869249 570461989 /nfs/dbraw/zinc/46/19/89/570461989.db2.gz VXOYNYANFXYNKY-OAQYLSRUSA-N 0 0 374.484 5.035 50 10 FKCARN COc1cc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000000871789 219334522 /nfs/dbraw/zinc/33/45/22/219334522.db2.gz DQBFJWJQHQGVAU-KSMMKXTCSA-N 0 0 371.864 5.192 50 10 FKCARN Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000000871791 219333801 /nfs/dbraw/zinc/33/38/01/219333801.db2.gz PMSJPCTYTIHYLR-FUHIMQAGSA-N 0 0 369.917 5.661 50 10 FKCARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]21 ZINC000000871795 219334439 /nfs/dbraw/zinc/33/44/39/219334439.db2.gz YGLAUQAYNBUDIJ-BIENJYKASA-N 0 0 374.253 5.423 50 10 FKCARN COc1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000000871807 571109230 /nfs/dbraw/zinc/10/92/30/571109230.db2.gz AHOHEUHRGQPLGO-FHSNZYRGSA-N 0 0 356.809 5.083 50 10 FKCARN COc1ccc([C@@H]2Nc3c(C)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000000871818 210284841 /nfs/dbraw/zinc/28/48/41/210284841.db2.gz WJVGSUCJCMONIQ-CKNLXJGOSA-N 0 0 370.836 5.392 50 10 FKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000000871830 571109350 /nfs/dbraw/zinc/10/93/50/571109350.db2.gz BKBNMKOGRCQEKJ-FUHIMQAGSA-N 0 0 368.274 5.478 50 10 FKCARN COc1ccc(C2=Nc3ccccc3N[C@](C)(c3ccc(OC)cc3)C2)cc1 ZINC000000884959 210287090 /nfs/dbraw/zinc/28/70/90/210287090.db2.gz KNHOATYGLWBMMC-DEOSSOPVSA-N 0 0 372.468 5.556 50 10 FKCARN COc1ccc(C2=Nc3ccccc3N[C@@](C)(c3ccc(OC)cc3)C2)cc1 ZINC000000884961 210285981 /nfs/dbraw/zinc/28/59/81/210285981.db2.gz KNHOATYGLWBMMC-XMMPIXPASA-N 0 0 372.468 5.556 50 10 FKCARN COc1ccc([C@@H]2C[C@@](C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1 ZINC000000884963 570462728 /nfs/dbraw/zinc/46/27/28/570462728.db2.gz IWKLXNHIGJNDLO-ZEQRLZLVSA-N 0 0 374.484 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366.258 5.426 50 10 FKCARN CCCN(CCC)c1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000004063527 571354647 /nfs/dbraw/zinc/35/46/47/571354647.db2.gz HHWOBSPJVIZUSY-HNVSCKTLSA-N 0 0 374.484 5.323 50 10 FKCARN CN(C)c1ccc(-c2nc3c(c4ccccc4c4ccccc34)n2C)cc1 ZINC000004094811 204121179 /nfs/dbraw/zinc/12/11/79/204121179.db2.gz UWSWQXOORSZGOZ-UHFFFAOYSA-N 0 0 351.453 5.613 50 10 FKCARN S=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3)C12 ZINC000004107168 204122528 /nfs/dbraw/zinc/12/25/28/204122528.db2.gz BMQZQSBBFZZBLO-JOCHJYFZSA-N 0 0 357.503 6.088 50 10 FKCARN S=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3)C12 ZINC000004107173 571355353 /nfs/dbraw/zinc/35/53/53/571355353.db2.gz BMQZQSBBFZZBLO-QFIPXVFZSA-N 0 0 357.503 6.088 50 10 FKCARN Cc1coc2c1cc(/N=N/c1ccc(C)cc1)cc(Br)c2=O ZINC000004113893 207001072 /nfs/dbraw/zinc/00/10/72/207001072.db2.gz PONADFKLSPVRPA-FMQUCBEESA-N 0 0 357.207 5.588 50 10 FKCARN COc1ccc(/N=N/c2cc3c(C)coc3c(=O)c(Br)c2)cc1 ZINC000004113894 207001282 /nfs/dbraw/zinc/00/12/82/207001282.db2.gz FNRLTJXQVUUMJL-FMQUCBEESA-N 0 0 373.206 5.288 50 10 FKCARN CCc1nn2c3ccccc3n(CC)c2c1/N=N/c1nc2ccccc2n1C ZINC000004114789 204122650 /nfs/dbraw/zinc/12/26/50/204122650.db2.gz YTPDQLBGLNTPIT-WCWDXBQESA-N 0 0 371.448 5.173 50 10 FKCARN Cc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C)c1 ZINC000004114793 204122013 /nfs/dbraw/zinc/12/20/13/204122013.db2.gz XVWMAIJAEUIUOB-CYYJNZCTSA-N 0 0 352.441 6.776 50 10 FKCARN CC1=NN(c2ccccc2)C(=O)C1=C(Nc1cccc(C)c1)c1ccccc1 ZINC000004117219 571355519 /nfs/dbraw/zinc/35/55/19/571355519.db2.gz DYHIHBPUPTXPTJ-FCQUAONHSA-N 0 0 367.452 5.241 50 10 FKCARN Cc1ccc(C2=C/C(=C3/c4ccccc4-c4ncccc43)C(=O)O2)cc1C ZINC000004117437 571355530 /nfs/dbraw/zinc/35/55/30/571355530.db2.gz VACGZMOCGRZEQG-LSDHQDQOSA-N 0 0 351.405 5.079 50 10 FKCARN Clc1cccc(Cl)c1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]21 ZINC000004117448 207002106 /nfs/dbraw/zinc/00/21/06/207002106.db2.gz BUQGLFVHXJSSFT-ZMPRRUGASA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cccc(Cl)c1[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@@H]21 ZINC000004117450 219544411 /nfs/dbraw/zinc/54/44/11/219544411.db2.gz BUQGLFVHXJSSFT-PONJGIIJSA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cccc(Cl)c1[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]21 ZINC000004117452 570576803 /nfs/dbraw/zinc/57/68/03/570576803.db2.gz BUQGLFVHXJSSFT-XCGNWRKASA-N 0 0 366.291 6.973 50 10 FKCARN CCc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000004123935 570577747 /nfs/dbraw/zinc/57/77/47/570577747.db2.gz GKKHBDOWRWTQKO-NRFANRHFSA-N 0 0 355.441 5.099 50 10 FKCARN CCc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000004123936 570577696 /nfs/dbraw/zinc/57/76/96/570577696.db2.gz GKKHBDOWRWTQKO-OAQYLSRUSA-N 0 0 355.441 5.099 50 10 FKCARN Cc1cccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000004123968 204123872 /nfs/dbraw/zinc/12/38/72/204123872.db2.gz MORLPFADZVXVTF-NRFANRHFSA-N 0 0 355.441 5.154 50 10 FKCARN Cc1cccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000004123969 570577601 /nfs/dbraw/zinc/57/76/01/570577601.db2.gz MORLPFADZVXVTF-OAQYLSRUSA-N 0 0 355.441 5.154 50 10 FKCARN Cc1ccnc(N[C@@H](c2ccccc2C)c2ccc3cccnc3c2O)c1 ZINC000004123972 570577762 /nfs/dbraw/zinc/57/77/62/570577762.db2.gz PZMILTQIKJUYDG-QFIPXVFZSA-N 0 0 355.441 5.154 50 10 FKCARN Cc1ccnc(N[C@H](c2ccccc2C)c2ccc3cccnc3c2O)c1 ZINC000004123973 204123647 /nfs/dbraw/zinc/12/36/47/204123647.db2.gz PZMILTQIKJUYDG-JOCHJYFZSA-N 0 0 355.441 5.154 50 10 FKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004124117 570577677 /nfs/dbraw/zinc/57/76/77/570577677.db2.gz ZCCKRUSIGVOBGI-DXIQSLLYSA-N 0 0 365.448 5.465 50 10 FKCARN CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004124119 570577629 /nfs/dbraw/zinc/57/76/29/570577629.db2.gz ZCCKRUSIGVOBGI-KNKQGSTJSA-N 0 0 365.448 5.465 50 10 FKCARN O=[N+]([O-])c1cccc([C@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)c1 ZINC000004131709 204123319 /nfs/dbraw/zinc/12/33/19/204123319.db2.gz GUMYAJPIZJIQQG-GRDNDAEWSA-N 0 0 360.335 5.440 50 10 FKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)c1 ZINC000004131714 570578095 /nfs/dbraw/zinc/57/80/95/570578095.db2.gz GUMYAJPIZJIQQG-ZQIUZPCESA-N 0 0 360.335 5.440 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000004132217 570578068 /nfs/dbraw/zinc/57/80/68/570578068.db2.gz FBHJZSNFOSACII-LQBOVUBWSA-N 0 0 372.424 5.583 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000004132220 570578133 /nfs/dbraw/zinc/57/81/33/570578133.db2.gz FBHJZSNFOSACII-LRXVAGHRSA-N 0 0 372.424 5.583 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004132314 570578172 /nfs/dbraw/zinc/57/81/72/570578172.db2.gz JXFRGZVADRPIBI-LXIYXOSZSA-N 0 0 356.809 5.083 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004132317 570578127 /nfs/dbraw/zinc/57/81/27/570578127.db2.gz JXFRGZVADRPIBI-JCGVRSQUSA-N 0 0 356.809 5.083 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004132333 204123418 /nfs/dbraw/zinc/12/34/18/204123418.db2.gz MQFPOFQOAUDEHK-RLFYNMQTSA-N 0 0 356.809 5.083 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004132340 204123690 /nfs/dbraw/zinc/12/36/90/204123690.db2.gz MQFPOFQOAUDEHK-HDMKZQKVSA-N 0 0 356.809 5.083 50 10 FKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004132382 570578183 /nfs/dbraw/zinc/57/81/83/570578183.db2.gz QYAKBOFMEYSGMR-TXPKVOOTSA-N 0 0 370.836 5.473 50 10 FKCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004132385 570578086 /nfs/dbraw/zinc/57/80/86/570578086.db2.gz QYAKBOFMEYSGMR-FRQCXROJSA-N 0 0 370.836 5.473 50 10 FKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000004140425 207003287 /nfs/dbraw/zinc/00/32/87/207003287.db2.gz OLMHANAHDCBKNQ-QTEQDKRBSA-N 0 0 361.485 5.813 50 10 FKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004140429 571356086 /nfs/dbraw/zinc/35/60/86/571356086.db2.gz SSUPUXZLEUFQHS-UWVAXJGDSA-N 0 0 353.849 5.343 50 10 FKCARN COc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004140467 571356050 /nfs/dbraw/zinc/35/60/50/571356050.db2.gz ZVOLWXSBLRRJBT-XFQAVAEZSA-N 0 0 350.418 5.047 50 10 FKCARN COc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004140468 204123696 /nfs/dbraw/zinc/12/36/96/204123696.db2.gz ZVOLWXSBLRRJBT-QYWGDWMGSA-N 0 0 350.418 5.047 50 10 FKCARN COc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004140469 571356064 /nfs/dbraw/zinc/35/60/64/571356064.db2.gz ZVOLWXSBLRRJBT-ZOCZFRKYSA-N 0 0 350.418 5.047 50 10 FKCARN COc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004140470 207002916 /nfs/dbraw/zinc/00/29/16/207002916.db2.gz ZVOLWXSBLRRJBT-MRUHUIDDSA-N 0 0 350.418 5.047 50 10 FKCARN COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000004140725 571356165 /nfs/dbraw/zinc/35/61/65/571356165.db2.gz SYAOWWJPSDNIQX-DEOSSOPVSA-N 0 0 371.484 5.117 50 10 FKCARN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000004140726 210511919 /nfs/dbraw/zinc/51/19/19/210511919.db2.gz SYAOWWJPSDNIQX-XMMPIXPASA-N 0 0 371.484 5.117 50 10 FKCARN CN(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 ZINC000004140727 570578469 /nfs/dbraw/zinc/57/84/69/570578469.db2.gz FWANESALLNCYOV-QHCPKHFHSA-N 0 0 359.448 5.247 50 10 FKCARN CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 ZINC000004140728 207003056 /nfs/dbraw/zinc/00/30/56/207003056.db2.gz FWANESALLNCYOV-HSZRJFAPSA-N 0 0 359.448 5.247 50 10 FKCARN C/C(=C1/C(C)=NN(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000004147699 571356176 /nfs/dbraw/zinc/35/61/76/571356176.db2.gz HIQHBLHYYDNZIG-HAVVHWLPSA-N 0 0 352.437 5.550 50 10 FKCARN COc1cccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000004151411 219548789 /nfs/dbraw/zinc/54/87/89/219548789.db2.gz PIUMFLSONQOYLG-UWVAXJGDSA-N 0 0 350.418 5.047 50 10 FKCARN COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004172089 207004973 /nfs/dbraw/zinc/00/49/73/207004973.db2.gz JZKZGDPYTCQLHV-VBHSOAQHSA-N 0 0 356.809 5.083 50 10 FKCARN COC(=O)c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1 ZINC000004172121 207004512 /nfs/dbraw/zinc/00/45/12/207004512.db2.gz PVDJZHCWTWIQEG-VKJFTORMSA-N 0 0 373.374 5.319 50 10 FKCARN COc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004172143 206236525 /nfs/dbraw/zinc/23/65/25/206236525.db2.gz DQBFJWJQHQGVAU-TYILLQQXSA-N 0 0 371.864 5.192 50 10 FKCARN Oc1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1O ZINC000004172310 570580068 /nfs/dbraw/zinc/58/00/68/570580068.db2.gz SVEJYYUKKJRQCO-UHFFFAOYSA-N 0 0 354.409 5.241 50 10 FKCARN Cc1ccnc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004178169 207004445 /nfs/dbraw/zinc/00/44/45/207004445.db2.gz YTLGWADVUKISIA-IBGZPJMESA-N 0 0 361.470 5.215 50 10 FKCARN Cc1ccnc(N[C@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004178171 570580268 /nfs/dbraw/zinc/58/02/68/570580268.db2.gz YTLGWADVUKISIA-LJQANCHMSA-N 0 0 361.470 5.215 50 10 FKCARN Oc1c([C@@H](Nc2ccccn2)c2ccccc2Cl)ccc2cccnc21 ZINC000004178907 204126097 /nfs/dbraw/zinc/12/60/97/204126097.db2.gz RGPCTXYEMALQFR-FQEVSTJZSA-N 0 0 361.832 5.190 50 10 FKCARN Oc1c([C@H](Nc2ccccn2)c2ccccc2Cl)ccc2cccnc21 ZINC000004178909 204125524 /nfs/dbraw/zinc/12/55/24/204125524.db2.gz RGPCTXYEMALQFR-HXUWFJFHSA-N 0 0 361.832 5.190 50 10 FKCARN Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@H]21 ZINC000004181770 571213133 /nfs/dbraw/zinc/21/31/33/571213133.db2.gz PMSJPCTYTIHYLR-ABSDTBQOSA-N 0 0 369.917 5.661 50 10 FKCARN Clc1cccc2c1N[C@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@H]21 ZINC000004181775 219553860 /nfs/dbraw/zinc/55/38/60/219553860.db2.gz PMSJPCTYTIHYLR-SQGPQFPESA-N 0 0 369.917 5.661 50 10 FKCARN Cc1ccc(C)c(C2=C/C(=C3/c4ccccc4-c4ncccc43)C(=O)O2)c1 ZINC000004182351 571062332 /nfs/dbraw/zinc/06/23/32/571062332.db2.gz TVOCLYXRJGHBCC-LSDHQDQOSA-N 0 0 351.405 5.079 50 10 FKCARN O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1 ZINC000004186505 571356611 /nfs/dbraw/zinc/35/66/11/571356611.db2.gz MNBORNQQBDLOFQ-YSTOQKLRSA-N 0 0 368.480 5.092 50 10 FKCARN CC(C)c1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000004187304 207007005 /nfs/dbraw/zinc/00/70/05/207007005.db2.gz DKZWYONDKYCHSV-JPVKTXQWSA-N 0 0 367.539 5.772 50 10 FKCARN CCCNC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004188405 571356631 /nfs/dbraw/zinc/35/66/31/571356631.db2.gz XXIYKUKHRPKXPY-UHFFFAOYSA-N 0 0 365.436 5.229 50 10 FKCARN CC(C)[C@@H]1Nc2c(C(=O)c3ccccc3)cc(Cl)cc2[C@H]2C=CC[C@H]21 ZINC000004198887 204127331 /nfs/dbraw/zinc/12/73/31/204127331.db2.gz AOZVICNSUKGFLN-QKLQHJQFSA-N 0 0 351.877 5.681 50 10 FKCARN CC(C)[C@@H]1Nc2c(C(=O)c3ccccc3)cc(Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000004198889 207006693 /nfs/dbraw/zinc/00/66/93/207006693.db2.gz AOZVICNSUKGFLN-ZWOKBUDYSA-N 0 0 351.877 5.681 50 10 FKCARN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000004199910 207008404 /nfs/dbraw/zinc/00/84/04/207008404.db2.gz BMOAONFOCCZGGT-VKJFTORMSA-N 0 0 356.809 5.083 50 10 FKCARN CCOC(=O)c1sc(N=Nc2c(O)ccc3ccccc32)c(C)c1C ZINC000004200121 207008196 /nfs/dbraw/zinc/00/81/96/207008196.db2.gz FZLMUUJJMPRSRK-QZQOTICOSA-N 0 0 354.431 5.816 50 10 FKCARN CCc1ccc(-n2c(C)c(C(=O)OC)cc2-c2ccc(Cl)cc2)cc1 ZINC000004237705 570581721 /nfs/dbraw/zinc/58/17/21/570581721.db2.gz PXXBTEVVCJXPTN-UHFFFAOYSA-N 0 0 353.849 5.455 50 10 FKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004268907 570582133 /nfs/dbraw/zinc/58/21/33/570582133.db2.gz OMFZKADNEBEVIC-DEYYWGMASA-N 0 0 361.228 5.728 50 10 FKCARN Clc1ccccc1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 ZINC000004286134 204130015 /nfs/dbraw/zinc/13/00/15/204130015.db2.gz RJOWWPZTELHGRY-JCGVRSQUSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccccc1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21 ZINC000004286135 207010541 /nfs/dbraw/zinc/01/05/41/207010541.db2.gz RJOWWPZTELHGRY-LXIYXOSZSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21 ZINC000004286137 570583164 /nfs/dbraw/zinc/58/31/64/570583164.db2.gz RJOWWPZTELHGRY-ZJNRKIDTSA-N 0 0 360.682 5.929 50 10 FKCARN CC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@@H]2[C@@H]1c1cccc2ccccc21 ZINC000004286307 570583413 /nfs/dbraw/zinc/58/34/13/570583413.db2.gz MGIXZCJBXIHKQQ-IZIIKQMZSA-N 0 0 373.883 6.261 50 10 aggregator FKCARN CC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@H]2[C@@H]1c1cccc2ccccc21 ZINC000004286310 570583584 /nfs/dbraw/zinc/58/35/84/570583584.db2.gz MGIXZCJBXIHKQQ-ZYKOEDHHSA-N 0 0 373.883 6.261 50 10 aggregator FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000004286330 207011574 /nfs/dbraw/zinc/01/15/74/207011574.db2.gz AKQYZGHKHSPZIM-YRISNDGFSA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004286331 570583474 /nfs/dbraw/zinc/58/34/74/570583474.db2.gz AKQYZGHKHSPZIM-CDXJDZJCSA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000004286332 570583431 /nfs/dbraw/zinc/58/34/31/570583431.db2.gz AKQYZGHKHSPZIM-DJPFJPOOSA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004286333 570583518 /nfs/dbraw/zinc/58/35/18/570583518.db2.gz AKQYZGHKHSPZIM-MDKPJZGXSA-N 0 0 366.291 6.973 50 10 FKCARN Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004286338 571357646 /nfs/dbraw/zinc/35/76/46/571357646.db2.gz PVFFFXHTWZMKKS-UHFFFAOYSA-N 0 0 360.240 5.620 50 10 FKCARN CC(=O)c1ccc(N=Nc2cc(C)c(N3Cc4ccccc4C3)cc2C)cc1 ZINC000004300914 570584055 /nfs/dbraw/zinc/58/40/55/570584055.db2.gz SVIPPMCHAOZYSJ-OCEACIFDSA-N 0 0 369.468 6.442 50 10 FKCARN CCc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1N1Cc2ccccc2C1 ZINC000004300915 204131391 /nfs/dbraw/zinc/13/13/91/204131391.db2.gz GSBXDMFAEKGTOY-WCWDXBQESA-N 0 0 372.428 6.093 50 10 FKCARN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004304596 571110345 /nfs/dbraw/zinc/11/03/45/571110345.db2.gz WIZCWADHIUMIQN-CYYJNZCTSA-N 0 0 374.488 6.192 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000004309349 204130891 /nfs/dbraw/zinc/13/08/91/204130891.db2.gz SQLKQUXTJALEHP-JKDFXYPNSA-N 0 0 350.676 6.473 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000004309350 210521907 /nfs/dbraw/zinc/52/19/07/210521907.db2.gz SQLKQUXTJALEHP-XWCIJXRUSA-N 0 0 350.676 6.473 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000004309351 204131396 /nfs/dbraw/zinc/13/13/96/204131396.db2.gz SQLKQUXTJALEHP-PRXAMGSTSA-N 0 0 350.676 6.473 50 10 FKCARN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004309352 219563642 /nfs/dbraw/zinc/56/36/42/219563642.db2.gz SQLKQUXTJALEHP-NVGCLXPQSA-N 0 0 350.676 6.473 50 10 FKCARN O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000004309363 204131434 /nfs/dbraw/zinc/13/14/34/204131434.db2.gz QUHJHDBEQQSWBT-JJRVBVJISA-N 0 0 361.228 5.728 50 10 FKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000004309364 207012189 /nfs/dbraw/zinc/01/21/89/207012189.db2.gz QUHJHDBEQQSWBT-VBQJREDUSA-N 0 0 361.228 5.728 50 10 FKCARN O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000004309365 207012587 /nfs/dbraw/zinc/01/25/87/207012587.db2.gz QUHJHDBEQQSWBT-GRDNDAEWSA-N 0 0 361.228 5.728 50 10 FKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000004309366 570584249 /nfs/dbraw/zinc/58/42/49/570584249.db2.gz QUHJHDBEQQSWBT-ZQIUZPCESA-N 0 0 361.228 5.728 50 10 FKCARN Clc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004309527 204131071 /nfs/dbraw/zinc/13/10/71/204131071.db2.gz BYQSQIUDLRGZCQ-GRDNDAEWSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004309528 570584320 /nfs/dbraw/zinc/58/43/20/570584320.db2.gz BYQSQIUDLRGZCQ-ZQIUZPCESA-N 0 0 360.682 5.929 50 10 FKCARN Clc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004309529 570584437 /nfs/dbraw/zinc/58/44/37/570584437.db2.gz BYQSQIUDLRGZCQ-JJRVBVJISA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000004309771 570584237 /nfs/dbraw/zinc/58/42/37/570584237.db2.gz AEQDRMSMUYTEKJ-HDMKZQKVSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000004309772 204130911 /nfs/dbraw/zinc/13/09/11/204130911.db2.gz AEQDRMSMUYTEKJ-RLFYNMQTSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000004309773 207012184 /nfs/dbraw/zinc/01/21/84/207012184.db2.gz AEQDRMSMUYTEKJ-MPGHIAIKSA-N 0 0 360.682 5.929 50 10 FKCARN Clc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000004309774 210523126 /nfs/dbraw/zinc/52/31/26/210523126.db2.gz UHUNCHLCLYIDRJ-JCGVRSQUSA-N 0 0 350.676 6.473 50 10 FKCARN Clc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000004309775 204130982 /nfs/dbraw/zinc/13/09/82/204130982.db2.gz UHUNCHLCLYIDRJ-LXIYXOSZSA-N 0 0 350.676 6.473 50 10 FKCARN Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000004309776 570584317 /nfs/dbraw/zinc/58/43/17/570584317.db2.gz UHUNCHLCLYIDRJ-ZJNRKIDTSA-N 0 0 350.676 6.473 50 10 FKCARN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc(C)cc1C ZINC000004309923 206173603 /nfs/dbraw/zinc/17/36/03/206173603.db2.gz NUMRJLQXOWFOQG-XSFVSMFZSA-N 0 0 355.441 5.175 50 10 FKCARN COc1cc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000004320904 571213172 /nfs/dbraw/zinc/21/31/72/571213172.db2.gz DQBFJWJQHQGVAU-NJSLBKSFSA-N 0 0 371.864 5.192 50 10 FKCARN Cc1ccc(C)c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004321254 219566025 /nfs/dbraw/zinc/56/60/25/219566025.db2.gz NQYZGBCOQMGJFR-ZWOKBUDYSA-N 0 0 354.291 5.892 50 10 FKCARN Cc1ccc(C)c2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000004321255 204133254 /nfs/dbraw/zinc/13/32/54/204133254.db2.gz NQYZGBCOQMGJFR-HLIPFELVSA-N 0 0 354.291 5.892 50 10 FKCARN Cc1ccc(C)c2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004321256 204132411 /nfs/dbraw/zinc/13/24/11/204132411.db2.gz NQYZGBCOQMGJFR-QKLQHJQFSA-N 0 0 354.291 5.892 50 10 FKCARN Clc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000004321260 204132095 /nfs/dbraw/zinc/13/20/95/204132095.db2.gz MYCTZYCWFDZEKO-ZMPRRUGASA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1Cl ZINC000004321261 207013629 /nfs/dbraw/zinc/01/36/29/207013629.db2.gz MYCTZYCWFDZEKO-PONJGIIJSA-N 0 0 366.291 6.973 50 10 FKCARN Clc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1Cl ZINC000004321262 207014034 /nfs/dbraw/zinc/01/40/34/207014034.db2.gz MYCTZYCWFDZEKO-XCGNWRKASA-N 0 0 366.291 6.973 50 10 FKCARN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004321267 207014451 /nfs/dbraw/zinc/01/44/51/207014451.db2.gz IQYGQJPGTOMWDO-PTLVVNQVSA-N 0 0 369.464 5.843 50 10 FKCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004321268 204132592 /nfs/dbraw/zinc/13/25/92/204132592.db2.gz IQYGQJPGTOMWDO-ZYKOEDHHSA-N 0 0 369.464 5.843 50 10 FKCARN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000004321269 210523186 /nfs/dbraw/zinc/52/31/86/210523186.db2.gz IQYGQJPGTOMWDO-LEEZEASISA-N 0 0 369.464 5.843 50 10 FKCARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004321270 570584769 /nfs/dbraw/zinc/58/47/69/570584769.db2.gz RZZXEWLABHHSFS-HDMKZQKVSA-N 0 0 371.234 5.184 50 10 FKCARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004321271 204133276 /nfs/dbraw/zinc/13/32/76/204133276.db2.gz RZZXEWLABHHSFS-RLFYNMQTSA-N 0 0 371.234 5.184 50 10 FKCARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004321272 204133119 /nfs/dbraw/zinc/13/31/19/204133119.db2.gz RZZXEWLABHHSFS-MPGHIAIKSA-N 0 0 371.234 5.184 50 10 FKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004321343 207014507 /nfs/dbraw/zinc/01/45/07/207014507.db2.gz HOJYHCMZZJYMJX-LAPQFRIASA-N 0 0 358.268 6.023 50 10 FKCARN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004321344 570584914 /nfs/dbraw/zinc/58/49/14/570584914.db2.gz HOJYHCMZZJYMJX-PJSUUKDQSA-N 0 0 358.268 6.023 50 10 FKCARN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004321345 570584725 /nfs/dbraw/zinc/58/47/25/570584725.db2.gz HOJYHCMZZJYMJX-ARGWCVDVSA-N 0 0 358.268 6.023 50 10 FKCARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1cccc(Cl)c1 ZINC000004322711 204133192 /nfs/dbraw/zinc/13/31/92/204133192.db2.gz JNWPKFOHPBXGFU-UHFFFAOYSA-N 0 0 356.812 5.962 50 10 FKCARN O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)c1 ZINC000004323051 207014345 /nfs/dbraw/zinc/01/43/45/207014345.db2.gz RLZXBKNCASYLLY-OGHNNQOOSA-N 0 0 361.228 5.728 50 10 FKCARN O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000004323052 204133122 /nfs/dbraw/zinc/13/31/22/204133122.db2.gz RLZXBKNCASYLLY-GDZNZVCISA-N 0 0 361.228 5.728 50 10 FKCARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000004323054 204132852 /nfs/dbraw/zinc/13/28/52/204132852.db2.gz RLZXBKNCASYLLY-DCGLDWPTSA-N 0 0 361.228 5.728 50 10 FKCARN Cc1n[nH]c(C)c1/N=N/c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000004323212 204133182 /nfs/dbraw/zinc/13/31/82/204133182.db2.gz MDKMJPIVELLOTI-GHVJWSGMSA-N 0 0 361.232 6.541 50 10 FKCARN Cc1cc2ncc(/N=N/c3ccc(Cl)cc3)c(-c3cccs3)n2n1 ZINC000004333041 204133756 /nfs/dbraw/zinc/13/37/56/204133756.db2.gz MQMOANPVVFCJEV-QZQOTICOSA-N 0 0 353.838 5.835 50 10 FKCARN CCCCN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21 ZINC000004344359 132386884 /nfs/dbraw/zinc/38/68/84/132386884.db2.gz XEHABDIHYPOHAE-QURGRASLSA-N 0 0 372.310 6.417 50 10 FKCARN CCCCN(CCCC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004344365 207016046 /nfs/dbraw/zinc/01/60/46/207016046.db2.gz KNBRTHIMUIKCSH-QURGRASLSA-N 0 0 354.454 6.417 50 10 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CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000009190087 570692238 /nfs/dbraw/zinc/69/22/38/570692238.db2.gz NHHFVCKASYUFKW-PDGQHHTCSA-N 0 0 369.511 5.108 50 10 FKCARN CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000009190088 570692160 /nfs/dbraw/zinc/69/21/60/570692160.db2.gz SMXSXLORLLKZKS-RVAQLADHSA-N 0 0 369.511 5.048 50 10 FKCARN CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000009190089 207261041 /nfs/dbraw/zinc/26/10/41/207261041.db2.gz SMXSXLORLLKZKS-VVTMIQRTSA-N 0 0 369.511 5.048 50 10 FKCARN Cc1cc(CNC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000009228532 571101758 /nfs/dbraw/zinc/10/17/58/571101758.db2.gz LJJXHRZUVFKHGR-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C)cc1 ZINC000009228533 571101821 /nfs/dbraw/zinc/10/18/21/571101821.db2.gz LMVUUGSRUGXSBO-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN CCc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000009228535 571101841 /nfs/dbraw/zinc/10/18/41/571101841.db2.gz 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571101835 /nfs/dbraw/zinc/10/18/35/571101835.db2.gz DUIIWIXKYGHMJR-UHFFFAOYSA-N 0 0 365.452 5.172 50 10 FKCARN Cc1cc(CNC(=O)Nc2cc(F)ccc2F)c(C)n1-c1ccc(C)cc1 ZINC000009228559 204359299 /nfs/dbraw/zinc/35/92/99/204359299.db2.gz KYEAQGHKIHKMDA-UHFFFAOYSA-N 0 0 369.415 5.002 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc(C)cc1 ZINC000009228570 207262154 /nfs/dbraw/zinc/26/21/54/207262154.db2.gz YMCNANYEUULEET-UHFFFAOYSA-N 0 0 369.415 5.002 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228580 207263068 /nfs/dbraw/zinc/26/30/68/207263068.db2.gz FQNJGEUPBATETP-UHFFFAOYSA-N 0 0 353.853 5.069 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228588 571101875 /nfs/dbraw/zinc/10/18/75/571101875.db2.gz BKZNECVGLXDPSJ-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000009228589 571101831 /nfs/dbraw/zinc/10/18/31/571101831.db2.gz XIWMLMFJSHMBGB-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228596 571101889 /nfs/dbraw/zinc/10/18/89/571101889.db2.gz MLDJJHPYIDOZDE-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN Cc1cc(CNC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000009228685 207262686 /nfs/dbraw/zinc/26/26/86/207262686.db2.gz BSXZOLMAXUSJCH-UHFFFAOYSA-N 0 0 371.843 5.208 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 ZINC000009228687 204359443 /nfs/dbraw/zinc/35/94/43/204359443.db2.gz RJNKQSHIXKKABM-UHFFFAOYSA-N 0 0 371.843 5.208 50 10 FKCARN CCc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000009228690 571101828 /nfs/dbraw/zinc/10/18/28/571101828.db2.gz ZNPRALXYIDPZNU-UHFFFAOYSA-N 0 0 365.452 5.117 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 ZINC000009228691 207262831 /nfs/dbraw/zinc/26/28/31/207262831.db2.gz LDOOMDZJEWSIAS-UHFFFAOYSA-N 0 0 371.843 5.208 50 10 FKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2C)c(C)n1-c1ccc(F)cc1 ZINC000009228692 207263106 /nfs/dbraw/zinc/26/31/06/207263106.db2.gz 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210823765 /nfs/dbraw/zinc/82/37/65/210823765.db2.gz FSYSHQHOFCJZFM-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN CCc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000009228736 571101750 /nfs/dbraw/zinc/10/17/50/571101750.db2.gz CNKBGQSIDQDFQG-UHFFFAOYSA-N 0 0 361.489 5.287 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(C)c1 ZINC000009228737 571101811 /nfs/dbraw/zinc/10/18/11/571101811.db2.gz JYBLWUIUYBJTSS-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2C)c(C)n1-c1cccc(C)c1 ZINC000009228738 204359577 /nfs/dbraw/zinc/35/95/77/204359577.db2.gz IIJYDXUTFSCABP-UHFFFAOYSA-N 0 0 361.489 5.341 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(C)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000009228740 204358937 /nfs/dbraw/zinc/35/89/37/204358937.db2.gz DNYSSCFFILJDIA-UHFFFAOYSA-N 0 0 361.489 5.341 50 10 FKCARN Cc1cc(CNC(=O)Nc2cc(C)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000009228741 571101825 /nfs/dbraw/zinc/10/18/25/571101825.db2.gz OQGOZBJPURISOE-UHFFFAOYSA-N 0 0 361.489 5.341 50 10 FKCARN Cc1cc(CNC(=O)Nc2cc(C)cc(C)c2)c(C)n1-c1cccc(C)c1 ZINC000009228742 204359803 /nfs/dbraw/zinc/35/98/03/204359803.db2.gz AWVLSXILHHSHCW-UHFFFAOYSA-N 0 0 361.489 5.341 50 10 FKCARN CCc1ccccc1NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000009228761 571101862 /nfs/dbraw/zinc/10/18/62/571101862.db2.gz UXPREHGKGPWDMS-UHFFFAOYSA-N 0 0 361.489 5.287 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(C)cc2C)c(C)n1-c1cccc(C)c1 ZINC000009228763 204359990 /nfs/dbraw/zinc/35/99/90/204359990.db2.gz CYVQSOWQFHAXCB-UHFFFAOYSA-N 0 0 361.489 5.341 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(C)c(F)c2)c(C)n1-c1cccc(C)c1 ZINC000009228766 571101850 /nfs/dbraw/zinc/10/18/50/571101850.db2.gz UEPRFVYBQFGOKN-UHFFFAOYSA-N 0 0 365.452 5.172 50 10 FKCARN Cc1cc(CNC(=O)Nc2cc(F)ccc2F)c(C)n1-c1cccc(C)c1 ZINC000009228767 210823459 /nfs/dbraw/zinc/82/34/59/210823459.db2.gz FBWQKPKUMDRLBH-UHFFFAOYSA-N 0 0 369.415 5.002 50 10 FKCARN Cc1cc(CNC(=O)Nc2ccc(F)cc2F)c(C)n1-c1cccc(C)c1 ZINC000009228778 207262814 /nfs/dbraw/zinc/26/28/14/207262814.db2.gz 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Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000019927803 571327771 /nfs/dbraw/zinc/32/77/71/571327771.db2.gz SCQGDCCLCYBHMY-JXFKEZNVSA-N 0 0 368.889 5.330 50 10 FKCARN Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2ccc(Cl)cc2)N1 ZINC000019927806 571327798 /nfs/dbraw/zinc/32/77/98/571327798.db2.gz SCQGDCCLCYBHMY-UZLBHIALSA-N 0 0 368.889 5.330 50 10 FKCARN Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000019927809 211261596 /nfs/dbraw/zinc/26/15/96/211261596.db2.gz SCQGDCCLCYBHMY-OXJNMPFZSA-N 0 0 368.889 5.330 50 10 FKCARN Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2ccc(Cl)cc2)N1 ZINC000019927812 571327800 /nfs/dbraw/zinc/32/78/00/571327800.db2.gz SCQGDCCLCYBHMY-OXQOHEQNSA-N 0 0 368.889 5.330 50 10 FKCARN Cc1ccc(C)n1-c1cccc2c(Oc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000020004287 570908112 /nfs/dbraw/zinc/90/81/12/570908112.db2.gz OZWOIULKTDJVPM-UHFFFAOYSA-N 0 0 358.397 5.948 50 10 FKCARN CCOC(=O)Cc1c(/N=N/c2ccc(Cl)cc2)c2ccccc2n1C ZINC000020167763 520903996 /nfs/dbraw/zinc/90/39/96/520903996.db2.gz JRUZHDCQJVDRQU-QURGRASLSA-N 0 0 355.825 5.353 50 10 FKCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)c2ccccc2)cc1 ZINC000020191094 520896805 /nfs/dbraw/zinc/89/68/05/520896805.db2.gz RFTDQENFFSWARL-QJOMJCCJSA-N 0 0 367.452 5.261 50 10 FKCARN Cc1cc2c(n1-c1ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc1)CCCC2 ZINC000020532480 220330597 /nfs/dbraw/zinc/33/05/97/220330597.db2.gz WIUWKDAZEUIOSH-RADWXHQJSA-N 0 0 364.533 5.219 50 10 FKCARN Cc1cc2c(n1-c1ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc1)CCCC2 ZINC000020532481 220330673 /nfs/dbraw/zinc/33/06/73/220330673.db2.gz WIUWKDAZEUIOSH-AQOAWAETSA-N 0 0 364.533 5.219 50 10 FKCARN CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000020582421 520102616 /nfs/dbraw/zinc/10/26/16/520102616.db2.gz MPWGLJPCWDIBIU-OQKWZONESA-N 0 0 362.473 5.452 50 10 FKCARN Cc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020764728 571331700 /nfs/dbraw/zinc/33/17/00/571331700.db2.gz ZVUIECZXTCWZMJ-FYYLOGMGSA-N 0 0 360.432 5.062 50 10 FKCARN Cc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3ccccc3O)C2)cc1 ZINC000020764732 571331754 /nfs/dbraw/zinc/33/17/54/571331754.db2.gz ZVUIECZXTCWZMJ-GGAORHGYSA-N 0 0 360.432 5.062 50 10 FKCARN Cc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3ccccc3O)C2)cc1 ZINC000020764736 220340410 /nfs/dbraw/zinc/34/04/10/220340410.db2.gz ZVUIECZXTCWZMJ-JTHBVZDNSA-N 0 0 360.432 5.062 50 10 FKCARN Cc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3ccccc3O)C2)cc1 ZINC000020764740 571331745 /nfs/dbraw/zinc/33/17/45/571331745.db2.gz ZVUIECZXTCWZMJ-GMAHTHKFSA-N 0 0 360.432 5.062 50 10 FKCARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020864774 211297549 /nfs/dbraw/zinc/29/75/49/211297549.db2.gz RVAHRKUOILKLGQ-UHFFFAOYSA-N 0 0 359.469 5.590 50 10 FKCARN O=C(NC1CC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 ZINC000020902501 211299366 /nfs/dbraw/zinc/29/93/66/211299366.db2.gz DBEJHMLJTSEYMM-UHFFFAOYSA-N 0 0 370.496 5.305 50 10 FKCARN Cc1cc(CNC(=O)Nc2cccc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000020943426 524738312 /nfs/dbraw/zinc/73/83/12/524738312.db2.gz WDEZITNAJQUZHD-UHFFFAOYSA-N 0 0 367.880 5.378 50 10 FKCARN [O-]c1c([C@H](c2ccccc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021486894 211314637 /nfs/dbraw/zinc/31/46/37/211314637.db2.gz QBXLCZDIUNZZPZ-FQEVSTJZSA-N 0 0 352.865 5.169 50 10 FKCARN [O-]c1c([C@@H](c2ccccc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021486895 211314725 /nfs/dbraw/zinc/31/47/25/211314725.db2.gz QBXLCZDIUNZZPZ-HXUWFJFHSA-N 0 0 352.865 5.169 50 10 FKCARN [O-]c1c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021540387 571334992 /nfs/dbraw/zinc/33/49/92/571334992.db2.gz JCVPXJKIBDXWSC-FQEVSTJZSA-N 0 0 370.855 5.308 50 10 FKCARN [O-]c1c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021540390 571335019 /nfs/dbraw/zinc/33/50/19/571335019.db2.gz JCVPXJKIBDXWSC-HXUWFJFHSA-N 0 0 370.855 5.308 50 10 FKCARN Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2[O-])[NH+]2CCCC2)cc1 ZINC000021673436 207777156 /nfs/dbraw/zinc/77/71/56/207777156.db2.gz KGZAULONWRUBNJ-HXUWFJFHSA-N 0 0 352.865 5.087 50 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