smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000000037361 563211424 /nfs/dbraw/zinc/21/14/24/563211424.db2.gz XDIOQVBBAOZSSL-FHSNZYRGSA-N 0 0 311.812 5.175 40 10 DKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000000070376 563920687 /nfs/dbraw/zinc/92/06/87/563920687.db2.gz UTZIFQWZQXYWPZ-UWVAXJGDSA-N 0 0 320.392 5.038 40 10 DKCBRN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000000177920 563606959 /nfs/dbraw/zinc/60/69/59/563606959.db2.gz XQHNYSILRSSGJL-JJRVBVJISA-N 0 0 316.231 5.820 40 10 DKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000000302491 563629171 /nfs/dbraw/zinc/62/91/71/563629171.db2.gz WMRCXBIJEIQCTN-FUHIMQAGSA-N 0 0 309.384 5.051 40 10 DKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21 ZINC000000879499 180836350 /nfs/dbraw/zinc/83/63/50/180836350.db2.gz RVLGEBUGZCHUPY-LYOVBCGYSA-N 0 0 317.219 5.215 40 10 DKCBRN O=C1c2ccccc2[C@H]2[C@@H]3CC=C[C@@H]3c3c4ccccc4ccc3N12 ZINC000001019236 563274996 /nfs/dbraw/zinc/27/49/96/563274996.db2.gz OQDRJPLQLNJEPD-GSHUGGBRSA-N 0 0 323.395 5.215 40 10 DKCBRN COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000001196095 563279166 /nfs/dbraw/zinc/27/91/66/563279166.db2.gz XDIOQVBBAOZSSL-VEVIJQCQSA-N 0 0 311.812 5.175 40 10 DKCBRN Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001446284 180867394 /nfs/dbraw/zinc/86/73/94/180867394.db2.gz UTZIFQWZQXYWPZ-FUHIMQAGSA-N 0 0 320.392 5.038 40 10 DKCBRN CCn1c(-c2ccccc2)csc1=Nc1ccc(Cl)cc1 ZINC000001466309 563284238 /nfs/dbraw/zinc/28/42/38/563284238.db2.gz IIMWCWIHAAURDI-UHFFFAOYSA-O 0 0 315.849 5.120 40 10 DKCBRN CN(C)c1ccc(/C=C/c2ccnc3ccccc23)c(Cl)c1 ZINC000001555645 563284751 /nfs/dbraw/zinc/28/47/51/563284751.db2.gz UKXUQCYEPXKAIP-BQYQJAHWSA-N 0 0 308.812 5.125 40 10 DKCBRN CCCCC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000001632441 563288859 /nfs/dbraw/zinc/28/88/59/563288859.db2.gz ZZAFVGWDGGVRQK-UHFFFAOYSA-N 0 0 310.485 5.141 40 10 DKCBRN Oc1c(O)c(-c2ccccc2)c2ccccc2c1-c1ccccc1 ZINC000001632934 563288699 /nfs/dbraw/zinc/28/86/99/563288699.db2.gz HWBXVPDFPGNZEY-UHFFFAOYSA-N 0 0 312.368 5.585 40 10 DKCBRN O=C(C(=O)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000001634291 563863660 /nfs/dbraw/zinc/86/36/60/563863660.db2.gz BBWHFKLQXLXHNI-UHFFFAOYSA-N 0 0 310.352 5.059 40 10 DKCBRN C=C(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1 ZINC000001691558 563291990 /nfs/dbraw/zinc/29/19/90/563291990.db2.gz BVIJGTIEFJIXHX-UHFFFAOYSA-N 0 0 322.496 5.441 40 10 DKCBRN CCc1ccc(CC)c(C(=O)C(=O)c2cc(CC)ccc2CC)c1 ZINC000001711009 563292764 /nfs/dbraw/zinc/29/27/64/563292764.db2.gz JZKYERVTVNNHOK-UHFFFAOYSA-N 0 0 322.448 5.002 40 10 DKCBRN Cc1cn(-c2c(C)c(C)c(-n3c(C)ccc3C)c(C)c2C)cc1C ZINC000001735381 563294749 /nfs/dbraw/zinc/29/47/49/563294749.db2.gz LHFFDGLDZNJRKN-UHFFFAOYSA-N 0 0 320.480 5.735 40 10 DKCBRN CC[C@H](c1ccc(N(C)C)cc1)N(CC)c1ccc(Cl)cc1 ZINC000001760758 563295101 /nfs/dbraw/zinc/29/51/01/563295101.db2.gz WUWPPIKHYLJYJG-LJQANCHMSA-N 0 0 316.876 5.384 40 10 DKCBRN CC[C@@H](c1ccc(N(C)C)cc1)N(CC)c1ccc(Cl)cc1 ZINC000002035253 563298326 /nfs/dbraw/zinc/29/83/26/563298326.db2.gz WUWPPIKHYLJYJG-IBGZPJMESA-N 0 0 316.876 5.384 40 10 DKCBRN Nc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1 ZINC000002540247 563868762 /nfs/dbraw/zinc/86/87/62/563868762.db2.gz NGLXJSJOFZXMFB-UHFFFAOYSA-N 0 0 322.113 5.387 40 10 DKCBRN CN(C)c1ccc(C=C2C3=C(CCCC3)OC3=C2CCCC3)cc1 ZINC000003145404 563322314 /nfs/dbraw/zinc/32/23/14/563322314.db2.gz UAUNXXHWGLZOTP-UHFFFAOYSA-N 0 0 321.464 5.822 40 10 DKCBRN O=[N+]([O-])c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000003845130 181048387 /nfs/dbraw/zinc/04/83/87/181048387.db2.gz FVCZVUAIRBKAOQ-FMQUCBEESA-N 0 0 303.321 5.677 40 10 DKCBRN CC(=O)Nc1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000003845135 181048762 /nfs/dbraw/zinc/04/87/62/181048762.db2.gz UFSOVVXCWYPNMD-GHVJWSGMSA-N 0 0 315.376 5.727 40 10 DKCBRN CCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 ZINC000003848681 181048985 /nfs/dbraw/zinc/04/89/85/181048985.db2.gz JWLYWGLGUDWDNX-QURGRASLSA-N 0 0 310.441 6.624 40 10 DKCBRN CCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 ZINC000003848682 181049271 /nfs/dbraw/zinc/04/92/71/181049271.db2.gz ISZPOYJCQDYMQS-GHVJWSGMSA-N 0 0 324.468 7.014 40 10 DKCBRN CCCCc1ccc(/N=N/c2ccc(OC(=O)CC)cc2)cc1 ZINC000003848688 181048832 /nfs/dbraw/zinc/04/88/32/181048832.db2.gz KAWDTLZGPZXDSA-QZQOTICOSA-N 0 0 310.397 5.760 40 10 DKCBRN Nc1cc(N)c(/N=N/c2ccccc2)cc1/N=N/c1ccccc1 ZINC000003900069 181055084 /nfs/dbraw/zinc/05/50/84/181055084.db2.gz KOFDPGKPYPNFMH-MBALSZOMSA-N 0 0 316.368 5.682 40 10 DKCBRN Nc1nc(-c2ccc(Cl)cc2)c(/N=N\c2ccccc2)s1 ZINC000004088284 181070921 /nfs/dbraw/zinc/07/09/21/181070921.db2.gz BICCETQETJTRJN-VXPUYCOJSA-N 0 0 314.801 5.461 40 10 DKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000004151338 563326497 /nfs/dbraw/zinc/32/64/97/563326497.db2.gz MZSQUMXQODANFL-OZVIIMIRSA-N 0 0 317.219 5.215 40 10 DKCBRN Cc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000004164894 181080084 /nfs/dbraw/zinc/08/00/84/181080084.db2.gz DUGJOXCAUZQPIR-UWVAXJGDSA-N 0 0 320.392 5.038 40 10 DKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000004286128 181092894 /nfs/dbraw/zinc/09/28/94/181092894.db2.gz IRSRESSVVBLOBE-JCGVRSQUSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000004286130 181092869 /nfs/dbraw/zinc/09/28/69/181092869.db2.gz IRSRESSVVBLOBE-VEVIJQCQSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000004286131 181092618 /nfs/dbraw/zinc/09/26/18/181092618.db2.gz IRSRESSVVBLOBE-LXIYXOSZSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004286132 181092848 /nfs/dbraw/zinc/09/28/48/181092848.db2.gz IRSRESSVVBLOBE-ZJNRKIDTSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000004309346 181095775 /nfs/dbraw/zinc/09/57/75/181095775.db2.gz XQHNYSILRSSGJL-VBQJREDUSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000004309347 181095930 /nfs/dbraw/zinc/09/59/30/181095930.db2.gz XQHNYSILRSSGJL-GRDNDAEWSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000004309348 181095870 /nfs/dbraw/zinc/09/58/70/181095870.db2.gz XQHNYSILRSSGJL-ZQIUZPCESA-N 0 0 316.231 5.820 40 10 DKCBRN CCN(CC)c1ccc(/C=C\c2cc(C)c3ccccc3n2)cc1 ZINC000004366963 181102361 /nfs/dbraw/zinc/10/23/61/181102361.db2.gz GNKKEOQOUXCYQD-RAXLEYEMSA-N 0 0 316.448 5.560 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21 ZINC000004450133 181110153 /nfs/dbraw/zinc/11/01/53/181110153.db2.gz ZPSCRYWKCOJMAB-AHIWAGSCSA-N 0 0 317.219 5.215 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21 ZINC000004450135 181109934 /nfs/dbraw/zinc/10/99/34/181109934.db2.gz ZPSCRYWKCOJMAB-DCGLDWPTSA-N 0 0 317.219 5.215 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000004450144 181109904 /nfs/dbraw/zinc/10/99/04/181109904.db2.gz JPZNMCAOCWWHDQ-AHIWAGSCSA-N 0 0 317.219 5.215 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000004450146 181110102 /nfs/dbraw/zinc/11/01/02/181110102.db2.gz JPZNMCAOCWWHDQ-DCGLDWPTSA-N 0 0 317.219 5.215 40 10 DKCBRN Cc1nc2cccc(NN=C3C(=O)C=Cc4ccccc43)c2n1C ZINC000004455834 181110434 /nfs/dbraw/zinc/11/04/34/181110434.db2.gz CIXTYBFROVGSAP-QURGRASLSA-N 0 0 316.364 5.156 40 10 DKCBRN Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004456007 181110577 /nfs/dbraw/zinc/11/05/77/181110577.db2.gz UTZIFQWZQXYWPZ-ABSDTBQOSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004456008 181110860 /nfs/dbraw/zinc/11/08/60/181110860.db2.gz UTZIFQWZQXYWPZ-ZWOKBUDYSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004456009 181110376 /nfs/dbraw/zinc/11/03/76/181110376.db2.gz UTZIFQWZQXYWPZ-SQGPQFPESA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004456010 181110864 /nfs/dbraw/zinc/11/08/64/181110864.db2.gz UTZIFQWZQXYWPZ-QKLQHJQFSA-N 0 0 320.392 5.038 40 10 DKCBRN CC1(C)C(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1(C)C ZINC000004462433 181110634 /nfs/dbraw/zinc/11/06/34/181110634.db2.gz PMNFYWIFDKEDEO-GHVJWSGMSA-N 0 0 321.424 5.723 40 10 DKCBRN CCCCCCc1cc(N=Nc2nccs2)c(O)cc1O ZINC000004578938 181126887 /nfs/dbraw/zinc/12/68/87/181126887.db2.gz JXWXHRNDQDRGGP-ISLYRVAYSA-N 0 0 305.403 5.093 40 10 DKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C/c1ccccc1 ZINC000004673162 181134672 /nfs/dbraw/zinc/13/46/72/181134672.db2.gz QBAKKCCUXREANC-QNGOZBTKSA-N 0 0 324.379 5.335 40 10 DKCBRN S=C1c2ccccc2C(Nc2ccccc2)=C1c1ccccc1 ZINC000004714747 181140785 /nfs/dbraw/zinc/14/07/85/181140785.db2.gz AHWWGYISOFHUDI-UHFFFAOYSA-N 0 0 313.425 5.399 40 10 DKCBRN c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000004725897 181143054 /nfs/dbraw/zinc/14/30/54/181143054.db2.gz QZCQQXMPFPDUCR-OCOZRVBESA-N 0 0 324.387 6.159 40 10 DKCBRN Cc1cc(N(C)C)cc(C)c1/C=C\c1ccnc2ccccc12 ZINC000004774609 181150592 /nfs/dbraw/zinc/15/05/92/181150592.db2.gz NDPZHQYNUPAZOH-KTKRTIGZSA-N 0 0 302.421 5.088 40 10 DKCBRN [S-]c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000004774646 181150512 /nfs/dbraw/zinc/15/05/12/181150512.db2.gz ABZVNGGVGDRLOC-UHFFFAOYSA-N 0 0 302.402 5.420 40 10 DKCBRN Cc1ccc(/N=N/c2ccc(C)cc2-c2ccc(C)cc2)cc1 ZINC000004794629 181152573 /nfs/dbraw/zinc/15/25/73/181152573.db2.gz KZZQSTSNUVVLCT-GHVJWSGMSA-N 0 0 300.405 6.694 40 10 DKCBRN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004798359 181153201 /nfs/dbraw/zinc/15/32/01/181153201.db2.gz QRRCLHGSZFNJEH-ZWOKBUDYSA-N 0 0 323.823 5.369 40 10 DKCBRN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004798361 181152977 /nfs/dbraw/zinc/15/29/77/181152977.db2.gz QRRCLHGSZFNJEH-QKLQHJQFSA-N 0 0 323.823 5.369 40 10 DKCBRN COc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004798371 181153333 /nfs/dbraw/zinc/15/33/33/181153333.db2.gz VXUKQQSYGMETLM-MPGHIAIKSA-N 0 0 311.812 5.175 40 10 DKCBRN COc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004798376 181153026 /nfs/dbraw/zinc/15/30/26/181153026.db2.gz VXUKQQSYGMETLM-DAYGRLMNSA-N 0 0 311.812 5.175 40 10 DKCBRN COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004798380 181153306 /nfs/dbraw/zinc/15/33/06/181153306.db2.gz XDIOQVBBAOZSSL-ZJNRKIDTSA-N 0 0 311.812 5.175 40 10 DKCBRN CCN(CC)c1ccc(C=C(C)c2nc3cc(C)ccc3[nH]2)cc1 ZINC000004824581 181157313 /nfs/dbraw/zinc/15/73/13/181157313.db2.gz UNUMDGCGPLBVCE-PEZBUJJGSA-N 0 0 319.452 5.278 40 10 DKCBRN Cc1ccc(C2=C/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1C ZINC000004852828 181162980 /nfs/dbraw/zinc/16/29/80/181162980.db2.gz AMBDSTHFHGWXMI-NDENLUEZSA-N 0 0 318.416 5.408 40 10 DKCBRN Cc1ccc(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 ZINC000004852846 181163300 /nfs/dbraw/zinc/16/33/00/181163300.db2.gz XJQOTHYBPQEGEI-CPNJWEJPSA-N 0 0 312.368 5.130 40 10 DKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004854860 181163723 /nfs/dbraw/zinc/16/37/23/181163723.db2.gz WVPZWEZBZSDHNJ-ZWOKBUDYSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004854862 181163843 /nfs/dbraw/zinc/16/38/43/181163843.db2.gz WVPZWEZBZSDHNJ-QKLQHJQFSA-N 0 0 320.392 5.038 40 10 DKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004959557 181179892 /nfs/dbraw/zinc/17/98/92/181179892.db2.gz WMRCXBIJEIQCTN-UWVAXJGDSA-N 0 0 309.384 5.051 40 10 DKCBRN CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004959558 181179422 /nfs/dbraw/zinc/17/94/22/181179422.db2.gz WMRCXBIJEIQCTN-ZWOKBUDYSA-N 0 0 309.384 5.051 40 10 DKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004959559 181179791 /nfs/dbraw/zinc/17/97/91/181179791.db2.gz 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ISABDVXOMWEITH-RFWXGWTQSA-N 0 0 311.428 5.975 40 10 DKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014464813 181953839 /nfs/dbraw/zinc/95/38/39/181953839.db2.gz LVJLTYQMHQQDTA-UWVAXJGDSA-N 0 0 309.840 5.783 40 10 DKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014464858 563672175 /nfs/dbraw/zinc/67/21/75/563672175.db2.gz CTFCKRNAUGKSIT-GJYPPUQNSA-N 0 0 311.812 5.175 40 10 DKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000014465894 563672122 /nfs/dbraw/zinc/67/21/22/563672122.db2.gz SRPZKEMLISGTDR-BIENJYKASA-N 0 0 311.812 5.175 40 10 DKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000014471548 181954291 /nfs/dbraw/zinc/95/42/91/181954291.db2.gz YIBNZUQQHRKLPI-UWVAXJGDSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000014471634 563672166 /nfs/dbraw/zinc/67/21/66/563672166.db2.gz ZNODQSMUZABHFR-UWVAXJGDSA-N 0 0 320.392 5.038 40 10 DKCBRN Clc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000014477409 563671908 /nfs/dbraw/zinc/67/19/08/563671908.db2.gz MKIOQCMHKLNJAS-XAYKYTGQSA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1cccc(Cl)c1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21 ZINC000014546514 563671495 /nfs/dbraw/zinc/67/14/95/563671495.db2.gz QTLGMOXKBPXFKR-RRUGBERISA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000014551227 563671480 /nfs/dbraw/zinc/67/14/80/563671480.db2.gz LWIDLNZVULCAGW-PMUMKWKESA-N 0 0 316.231 5.820 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 ZINC000014551229 181958483 /nfs/dbraw/zinc/95/84/83/181958483.db2.gz LWIDLNZVULCAGW-SUNYJGFJSA-N 0 0 316.231 5.820 40 10 DKCBRN CSc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014551873 563671583 /nfs/dbraw/zinc/67/15/83/563671583.db2.gz WTYQZTTYRZNPFW-UWVAXJGDSA-N 0 0 307.462 5.543 40 10 DKCBRN Cc1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000015188318 563920882 /nfs/dbraw/zinc/92/08/82/563920882.db2.gz UTZIFQWZQXYWPZ-MBOZVWFJSA-N 0 0 320.392 5.038 40 10 DKCBRN O=C1C=CC(=NN=c2[nH]c3ccccc3s2)C(Cl)=C1Cl ZINC000016545369 182049318 /nfs/dbraw/zinc/04/93/18/182049318.db2.gz NHBCBOPUNHPAHX-ISLYRVAYSA-N 0 0 324.192 5.724 40 10 DKCBRN CCN(CC)c1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1 ZINC000016678516 182057256 /nfs/dbraw/zinc/05/72/56/182057256.db2.gz ULWJZUJIVQSWSQ-QURGRASLSA-N 0 0 324.472 5.794 40 10 DKCBRN Nc1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2)s1 ZINC000016926496 563960497 /nfs/dbraw/zinc/96/04/97/563960497.db2.gz GRZDTFWCZUZSSY-FMQUCBEESA-N 0 0 314.801 5.461 40 10 DKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1ccc(Cl)cc1 ZINC000016951204 182066058 /nfs/dbraw/zinc/06/60/58/182066058.db2.gz FHICSSFIXANLNO-GHVJWSGMSA-N 0 0 323.787 5.103 40 10 DKCBRN Cc1cccc(C)c1/N=N\c1c(C)nc(N)nc1-c1ccccc1 ZINC000016951214 182065565 /nfs/dbraw/zinc/06/55/65/182065565.db2.gz JWFSXSBKIJIGCK-VHXPQNKSSA-N 0 0 317.396 5.066 40 10 DKCBRN Cc1ccc(/N=N\c2c(C)nc(N)nc2-c2ccccc2)c(C)c1 ZINC000016951217 182065771 /nfs/dbraw/zinc/06/57/71/182065771.db2.gz UOPBPDBRMYKUAC-VHXPQNKSSA-N 0 0 317.396 5.066 40 10 DKCBRN Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)cc(C)c2c1 ZINC000016968426 182067428 /nfs/dbraw/zinc/06/74/28/182067428.db2.gz UUOAUBAEXRHSQV-RMKNXTFCSA-N 0 0 302.421 5.088 40 10 DKCBRN CCN(CC)c1ccc(/C=C/c2cc(C)c3ccccc3n2)cc1 ZINC000016968782 182066865 /nfs/dbraw/zinc/06/68/65/182066865.db2.gz GNKKEOQOUXCYQD-JLHYYAGUSA-N 0 0 316.448 5.560 40 10 DKCBRN CN(C)c1ccc(/C=C\c2ccnc3ccccc23)c(Cl)c1 ZINC000016975208 182067207 /nfs/dbraw/zinc/06/72/07/182067207.db2.gz UKXUQCYEPXKAIP-FPLPWBNLSA-N 0 0 308.812 5.125 40 10 DKCBRN CCN(CC)c1ccc(C=C(C)c2nc3cc(C)ccc3[nH]2)cc1 ZINC000017014659 563413594 /nfs/dbraw/zinc/41/35/94/563413594.db2.gz UNUMDGCGPLBVCE-JQIJEIRASA-N 0 0 319.452 5.278 40 10 DKCBRN CCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1O ZINC000017158175 182077675 /nfs/dbraw/zinc/07/76/75/182077675.db2.gz RMTXUPIIESNLPW-UTOQUPLUSA-N 0 0 316.485 6.284 40 10 biogenic,in-vitro DKCBRN CCc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C ZINC000017161662 182077642 /nfs/dbraw/zinc/07/76/42/182077642.db2.gz VNMRCFIAIFZXRH-LUAWRHEFSA-N 0 0 302.421 5.034 40 10 DKCBRN Nc1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)c1ccccc1-2 ZINC000017285007 182081169 /nfs/dbraw/zinc/08/11/69/182081169.db2.gz MJESGBIGGKRXCT-YBFXNURJSA-N 0 0 303.792 5.492 40 10 DKCBRN O=C1C=Cc2ccccc2C1=NNc1cc(Cl)ccc1Cl ZINC000017327248 182084055 /nfs/dbraw/zinc/08/40/55/182084055.db2.gz CPCATQXQIUSTRT-FMQUCBEESA-N 0 0 317.175 6.268 40 10 DKCBRN CC1=CC(=O)C(=NNc2ccc(Br)cc2)C=C1C ZINC000017822556 182085961 /nfs/dbraw/zinc/08/59/61/182085961.db2.gz LABPTAJNLCODAN-WUKNDPDISA-N 0 0 305.175 5.187 40 10 DKCBRN Cc1cc(/N=N/c2ccccc2)cc(C)c1NC(=O)C(F)(F)F ZINC000017949613 182088039 /nfs/dbraw/zinc/08/80/39/182088039.db2.gz XSWZKBHVZIYAFR-QURGRASLSA-N 0 0 321.302 5.220 40 10 DKCBRN Cc1cc(NN=C2C=CC(=O)c3ncccc32)c2ccccc2n1 ZINC000018007512 182089591 /nfs/dbraw/zinc/08/95/91/182089591.db2.gz HHUFIGIXDXFTET-GHVJWSGMSA-N 0 0 314.348 5.212 40 10 DKCBRN O=C1C=CC(=NNc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000018008300 182089524 /nfs/dbraw/zinc/08/95/24/182089524.db2.gz OAAQFIKDMGWZBY-FMQUCBEESA-N 0 0 317.175 6.268 40 10 DKCBRN O=C(NCc1ccco1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018038439 182090221 /nfs/dbraw/zinc/09/02/21/182090221.db2.gz XBOKFHURBRUDMB-QURGRASLSA-N 0 0 320.352 5.017 40 10 DKCBRN Brc1ccc(/N=N/c2ccc3ccccc3n2)cc1 ZINC000018043993 182090223 /nfs/dbraw/zinc/09/02/23/182090223.db2.gz JHSZMQCXWKUICJ-VHEBQXMUSA-N 0 0 312.170 5.413 40 10 DKCBRN O=C1C=CC(=NNc2ccc(Br)cc2)C=C1Cl ZINC000018044748 182090359 /nfs/dbraw/zinc/09/03/59/182090359.db2.gz AZZYSMKIRNIKFE-FOCLMDBBSA-N 0 0 311.566 5.224 40 10 DKCBRN CC(=O)N(Cl)c1ccc(/N=N/c2ccccc2)cc1Cl ZINC000018066383 182091099 /nfs/dbraw/zinc/09/10/99/182091099.db2.gz ZJTWLMWQYOTWOD-ISLYRVAYSA-N 0 0 308.168 5.262 40 10 DKCBRN Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1 ZINC000018129290 182093792 /nfs/dbraw/zinc/09/37/92/182093792.db2.gz GYSBIUPPXQOLIQ-MBALSZOMSA-N 0 0 316.368 5.682 40 10 DKCBRN CC(C)N(C)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000018145684 182094604 /nfs/dbraw/zinc/09/46/04/182094604.db2.gz IFNXRXYFSBUXNE-FMQUCBEESA-N 0 0 322.239 6.253 40 10 DKCBRN FC(F)(F)c1cccc(/N=N/c2cccc(C(F)(F)F)c2)c1 ZINC000018166009 182096029 /nfs/dbraw/zinc/09/60/29/182096029.db2.gz ODNNWXKHVFFHEI-QURGRASLSA-N 0 0 318.220 6.140 40 10 DKCBRN O=C1C=C(Cl)C(=NNc2ccc([N+](=O)[O-])cc2)C(Cl)=C1 ZINC000018193841 182097899 /nfs/dbraw/zinc/09/78/99/182097899.db2.gz ZTXWNIBRQUVRQR-FOCLMDBBSA-N 0 0 312.112 5.023 40 10 DKCBRN O=C1C=C(Cl)C(=NNc2ccc([N+](=O)[O-])cc2)C(Cl)=C1 ZINC000018193844 182097817 /nfs/dbraw/zinc/09/78/17/182097817.db2.gz ZTXWNIBRQUVRQR-NXVVXOECSA-N 0 0 312.112 5.023 40 10 DKCBRN Nc1nc(-c2ccccc2)c(/N=N\c2ccc(Cl)cc2)s1 ZINC000018256351 182100931 /nfs/dbraw/zinc/10/09/31/182100931.db2.gz OGLXTLILXBPUFO-VXPUYCOJSA-N 0 0 314.801 5.461 40 10 DKCBRN O=[N+]([N-]c1ccccc1)c1ccc(N=Nc2ccccc2)cc1 ZINC000018258363 182100760 /nfs/dbraw/zinc/10/07/60/182100760.db2.gz QFGVOMFBKKZUAC-AFQFZPALSA-N 0 0 302.337 6.028 40 10 DKCBRN COc1cc(/N=N/c2ccc(Cl)c(OC)c2)ccc1Cl ZINC000020228428 182199380 /nfs/dbraw/zinc/19/93/80/182199380.db2.gz CLPSJDNLAJHLKC-ISLYRVAYSA-N 0 0 311.168 5.426 40 10 DKCBRN Cc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020692027 563922988 /nfs/dbraw/zinc/92/29/88/563922988.db2.gz YFSOVUIHAGTWCR-HLIPFELVSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000020694902 333384762 /nfs/dbraw/zinc/38/47/62/333384762.db2.gz CRGNLVSNOUXHRN-FUHIMQAGSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000020694905 563922995 /nfs/dbraw/zinc/92/29/95/563922995.db2.gz CRGNLVSNOUXHRN-ABSDTBQOSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020694908 333384918 /nfs/dbraw/zinc/38/49/18/333384918.db2.gz CRGNLVSNOUXHRN-MBOZVWFJSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000020695047 333384784 /nfs/dbraw/zinc/38/47/84/333384784.db2.gz OHSZGERTUVAVND-FUHIMQAGSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020695050 333384757 /nfs/dbraw/zinc/38/47/57/333384757.db2.gz OHSZGERTUVAVND-MBOZVWFJSA-N 0 0 309.840 5.783 40 10 DKCBRN COc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000020695072 333384738 /nfs/dbraw/zinc/38/47/38/333384738.db2.gz SWPTWTQTFANCQQ-RVKKMQEKSA-N 0 0 311.812 5.175 40 10 DKCBRN COc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020695075 333384825 /nfs/dbraw/zinc/38/48/25/333384825.db2.gz SWPTWTQTFANCQQ-IIDMSEBBSA-N 0 0 311.812 5.175 40 10 DKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000020695346 333384785 /nfs/dbraw/zinc/38/47/85/333384785.db2.gz IPZMFXZLVZPRPU-WSTZPKSXSA-N 0 0 323.867 6.290 40 10 DKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020695349 333384811 /nfs/dbraw/zinc/38/48/11/333384811.db2.gz IPZMFXZLVZPRPU-QWFCFKBJSA-N 0 0 323.867 6.290 40 10 DKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020697703 563923001 /nfs/dbraw/zinc/92/30/01/563923001.db2.gz ACZMDPFWEBBCBK-HLIPFELVSA-N 0 0 323.867 6.290 40 10 DKCBRN CC(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020697725 563922942 /nfs/dbraw/zinc/92/29/42/563922942.db2.gz WWKOCQXSJJQFSU-OPYAIIAOSA-N 0 0 307.412 5.776 40 10 DKCBRN CC(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020697965 563674544 /nfs/dbraw/zinc/67/45/44/563674544.db2.gz CUCVWTAWCZXGRN-HLIPFELVSA-N 0 0 307.412 5.776 40 10 DKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000020699384 333384796 /nfs/dbraw/zinc/38/47/96/333384796.db2.gz NFXOBVALQHSIQZ-FUHIMQAGSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000020699390 333384891 /nfs/dbraw/zinc/38/48/91/333384891.db2.gz NFXOBVALQHSIQZ-MBOZVWFJSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000020699393 563674627 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ZINC000199733775 563914339 /nfs/dbraw/zinc/91/43/39/563914339.db2.gz GOYKGPOVVDLNEV-UHFFFAOYSA-N 0 0 321.489 6.298 40 10 DKCBRN Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C(C)C)cc1 ZINC000199733800 563914354 /nfs/dbraw/zinc/91/43/54/563914354.db2.gz XLJAMDJHXXHYAG-UHFFFAOYSA-N 0 0 320.392 5.484 40 10 DKCBRN COc1cccc(-n2c(C)ccc2-c2ccc(F)c(Cl)c2)c1 ZINC000199743713 563914536 /nfs/dbraw/zinc/91/45/36/563914536.db2.gz KMFGZHVVOPBFII-UHFFFAOYSA-N 0 0 315.775 5.254 40 10 DKCBRN Cc1ccc(-c2cccc(Cl)c2)n1-c1ccc(C(C)C)cc1 ZINC000199743924 563914461 /nfs/dbraw/zinc/91/44/61/563914461.db2.gz MIKSUWZGFDAAFY-UHFFFAOYSA-N 0 0 309.840 6.230 40 10 DKCBRN COc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1F ZINC000199744257 563914547 /nfs/dbraw/zinc/91/45/47/563914547.db2.gz IQRDDGKBDWOIPN-UHFFFAOYSA-N 0 0 323.411 5.724 40 10 DKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000199744817 563914486 /nfs/dbraw/zinc/91/44/86/563914486.db2.gz SUPZVUJJEJCVNH-UHFFFAOYSA-N 0 0 312.210 5.215 40 10 DKCBRN Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000199744916 563914513 /nfs/dbraw/zinc/91/45/13/563914513.db2.gz GBGPAZMOZYJIJG-UHFFFAOYSA-N 0 0 312.756 5.014 40 10 DKCBRN Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1 ZINC000199744962 563914548 /nfs/dbraw/zinc/91/45/48/563914548.db2.gz JHJAWCSIEGFKQP-UHFFFAOYSA-N 0 0 309.840 6.230 40 10 DKCBRN CCc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1 ZINC000199745094 563914557 /nfs/dbraw/zinc/91/45/57/563914557.db2.gz KHAMOZGIPHTNPQ-UHFFFAOYSA-N 0 0 303.449 6.139 40 10 DKCBRN COc1cccc(-n2c(C)ccc2-c2ccc(C(C)C)cc2)c1 ZINC000199745244 201426802 /nfs/dbraw/zinc/42/68/02/201426802.db2.gz WFMAFFLIOUWAJK-UHFFFAOYSA-N 0 0 305.421 5.585 40 10 DKCBRN Cc1ccc(-c2ccccc2C(F)(F)F)n1-c1ccccc1 ZINC000199761051 563914558 /nfs/dbraw/zinc/91/45/58/563914558.db2.gz VFRJUHDFLGMITK-UHFFFAOYSA-N 0 0 301.311 5.472 40 10 DKCBRN Cc1ccc(-c2cccc(OC(F)(F)F)c2)n1-c1ccccc1 ZINC000199761075 563914470 /nfs/dbraw/zinc/91/44/70/563914470.db2.gz PPOSMXAJIHBLOJ-UHFFFAOYSA-N 0 0 317.310 5.351 40 10 DKCBRN Cc1ccc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000199761101 563914488 /nfs/dbraw/zinc/91/44/88/563914488.db2.gz DPKWSTXJJVPTHV-UHFFFAOYSA-N 0 0 301.311 5.472 40 10 DKCBRN Cc1ccc(-c2ccc(OC(F)(F)F)cc2)n1-c1ccccc1 ZINC000199761156 563914541 /nfs/dbraw/zinc/91/45/41/563914541.db2.gz NBKMHMKOTQVJAX-UHFFFAOYSA-N 0 0 317.310 5.351 40 10 DKCBRN Cc1ccc(-c2ccc(C(F)(F)F)cc2)n1-c1ccccc1 ZINC000199761185 563914521 /nfs/dbraw/zinc/91/45/21/563914521.db2.gz IKYHGBKJJJXYEN-UHFFFAOYSA-N 0 0 301.311 5.472 40 10 DKCBRN CCN(CC)c1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000216878299 563856619 /nfs/dbraw/zinc/85/66/19/563856619.db2.gz PBXVQNDPDZXBQF-UHFFFAOYSA-N 0 0 308.425 5.464 40 10 DKCBRN CN(C)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000216878818 563712117 /nfs/dbraw/zinc/71/21/17/563712117.db2.gz DIOMWGGUTIKKSM-UHFFFAOYSA-N 0 0 314.388 5.228 40 10 DKCBRN COc1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000222210105 563724437 /nfs/dbraw/zinc/72/44/37/563724437.db2.gz XDIOQVBBAOZSSL-SNUQEOBHSA-N 0 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/nfs/dbraw/zinc/59/03/98/340590398.db2.gz UKASIYKPXFFKKK-SXGZJXTBSA-N 0 0 309.840 5.783 40 10 DKCBRN Clc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21 ZINC000226702461 340590394 /nfs/dbraw/zinc/59/03/94/340590394.db2.gz KEMUYCRFTPBTPO-BWACUDIHSA-N 0 0 316.231 5.820 40 10 DKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226706703 340590525 /nfs/dbraw/zinc/59/05/25/340590525.db2.gz ACZMDPFWEBBCBK-UWVAXJGDSA-N 0 0 323.867 6.290 40 10 DKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000226709210 340590546 /nfs/dbraw/zinc/59/05/46/340590546.db2.gz MDJAXVIBRZOMHX-UWVAXJGDSA-N 0 0 309.840 5.783 40 10 DKCBRN CC(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226713860 340590506 /nfs/dbraw/zinc/59/05/06/340590506.db2.gz CUCVWTAWCZXGRN-UWVAXJGDSA-N 0 0 307.412 5.776 40 10 DKCBRN Fc1cccc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226714553 340590552 /nfs/dbraw/zinc/59/05/52/340590552.db2.gz GJRSJWGRXHERCX-MMOPVJDHSA-N 0 0 315.391 5.805 40 10 DKCBRN CC(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226715959 340590489 /nfs/dbraw/zinc/59/04/89/340590489.db2.gz GVCLNZPPEGFFHS-LQWHRVPQSA-N 0 0 323.867 6.290 40 10 DKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000226720931 340590519 /nfs/dbraw/zinc/59/05/19/340590519.db2.gz DIEHANJQXKKANG-UWVAXJGDSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000226727925 340590581 /nfs/dbraw/zinc/59/05/81/340590581.db2.gz HOJAULRVBXREFP-FUHIMQAGSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000226727936 340590628 /nfs/dbraw/zinc/59/06/28/340590628.db2.gz HOJAULRVBXREFP-MBOZVWFJSA-N 0 0 309.840 5.783 40 10 DKCBRN Clc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226731922 340590619 /nfs/dbraw/zinc/59/06/19/340590619.db2.gz FCXFQKRKNNOLMQ-KEYYUXOJSA-N 0 0 316.231 5.820 40 10 DKCBRN Cc1ccc2c(c1C)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000226742597 340590717 /nfs/dbraw/zinc/59/07/17/340590717.db2.gz SWGCHECEFGQYHP-UWVAXJGDSA-N 0 0 320.392 5.038 40 10 DKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000226789516 340591328 /nfs/dbraw/zinc/59/13/28/340591328.db2.gz XHANKAZNFRYVRJ-IGCXYCKISA-N 0 0 316.231 5.820 40 10 DKCBRN COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226793763 340591406 /nfs/dbraw/zinc/59/14/06/340591406.db2.gz FOCPRKTZWCVGSJ-VKJFTORMSA-N 0 0 311.812 5.175 40 10 DKCBRN COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226793781 340591467 /nfs/dbraw/zinc/59/14/67/340591467.db2.gz XGIMCBCNSRHBOF-GJYPPUQNSA-N 0 0 311.812 5.175 40 10 DKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000226853051 340592375 /nfs/dbraw/zinc/59/23/75/340592375.db2.gz XBTXGYVZFHOFCL-SXGZJXTBSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226862594 340592451 /nfs/dbraw/zinc/59/24/51/340592451.db2.gz BXXAZDZBLLYDIG-URVUXULASA-N 0 0 311.428 5.975 40 10 DKCBRN CCOc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226866504 340592539 /nfs/dbraw/zinc/59/25/39/340592539.db2.gz ILSAQISAZBRANU-UWVAXJGDSA-N 0 0 309.384 5.051 40 10 DKCBRN COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226909365 340593043 /nfs/dbraw/zinc/59/30/43/340593043.db2.gz XZYWAYCGNIDIAL-VKJFTORMSA-N 0 0 311.812 5.175 40 10 DKCBRN Cc1ccc(-c2ccc(C(C)C)cc2)n1-c1ccc(N(C)C)cc1 ZINC000228925001 257214582 /nfs/dbraw/zinc/21/45/82/257214582.db2.gz VZBSIPSFZUJELF-UHFFFAOYSA-N 0 0 318.464 5.642 40 10 DKCBRN Cc1ccc(-c2cccc(Cl)c2)n1-c1ccc(N(C)C)cc1 ZINC000228928672 262505747 /nfs/dbraw/zinc/50/57/47/262505747.db2.gz NPZVGUZAGLHPIW-UHFFFAOYSA-N 0 0 310.828 5.172 40 10 DKCBRN CSc1ccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)cc1 ZINC000228931884 257214588 /nfs/dbraw/zinc/21/45/88/257214588.db2.gz LGZIKCHLMQBGLM-UHFFFAOYSA-N 0 0 322.477 5.241 40 10 DKCBRN Cc1ccc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000228977916 262504954 /nfs/dbraw/zinc/50/49/54/262504954.db2.gz ZJWLDQLXXHRKAS-UHFFFAOYSA-N 0 0 312.210 5.215 40 10 DKCBRN Cc1ccc(-c2ccc(F)c(F)c2)n1-c1ccc(C(C)C)cc1 ZINC000228979129 563914713 /nfs/dbraw/zinc/91/47/13/563914713.db2.gz SQRKUSFZXMASSW-UHFFFAOYSA-N 0 0 311.375 5.854 40 10 DKCBRN Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(N(C)C)cc1 ZINC000228979908 563914654 /nfs/dbraw/zinc/91/46/54/563914654.db2.gz TZAOYRVNGUBOBW-UHFFFAOYSA-N 0 0 310.828 5.172 40 10 DKCBRN Cc1cc(N=Nc2ccccc2)ccc1N=Nc1ccccc1 ZINC000245239801 202512343 /nfs/dbraw/zinc/51/23/43/202512343.db2.gz MJRFLRVQFACVJO-UHFFFAOYSA-N 0 0 300.365 6.826 40 10 DKCBRN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000250499237 563925791 /nfs/dbraw/zinc/92/57/91/563925791.db2.gz DACJKOIEGGYOQY-LZNRXBQRSA-N 0 0 315.391 5.805 40 10 DKCBRN Cc1ccc(N=Nc2c(O)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000254861054 563418361 /nfs/dbraw/zinc/41/83/61/563418361.db2.gz ZLFVRXUOSPRRKQ-UHFFFAOYSA-N 0 0 307.309 5.177 40 10 DKCBRN CCC[NH2+]Cc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C ZINC000260714696 563677196 /nfs/dbraw/zinc/67/71/96/563677196.db2.gz DYKFZHDVBNYCHK-CQSZACIVSA-N 0 0 322.924 5.340 40 10 DKCBRN CC1=CC(=O)C=CC1=NNc1ccc2c(c1)Cc1ccccc1-2 ZINC000299888805 334258599 /nfs/dbraw/zinc/25/85/99/334258599.db2.gz YHELYTRELJRMBS-UHFFFAOYSA-N 0 0 300.361 5.687 40 10 DKCBRN Cc1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 ZINC000408722807 257227773 /nfs/dbraw/zinc/22/77/73/257227773.db2.gz NJGJFPQSRDNXNV-NDENLUEZSA-N 0 0 312.368 5.130 40 10 DKCBRN Cc1ccc(/C=C2/C=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000408723160 257228106 /nfs/dbraw/zinc/22/81/06/257228106.db2.gz QXVZCCJXOQMQFS-AQTBWJFISA-N 0 0 312.368 5.130 40 10 DKCBRN Cc1ccc2cc(C3=C/C(=C/c4ccccc4)C(=O)O3)ccc2c1 ZINC000408726801 257227145 /nfs/dbraw/zinc/22/71/45/257227145.db2.gz VGLOAPGJGWJGOA-NDENLUEZSA-N 0 0 312.368 5.130 40 10 DKCBRN Cc1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)o1 ZINC000408727252 257227088 /nfs/dbraw/zinc/22/70/88/257227088.db2.gz ZGRFRZGRSDHKOJ-WQRHYEAKSA-N 0 0 316.356 5.031 40 10 DKCBRN CC(C)Oc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736096 257227240 /nfs/dbraw/zinc/22/72/40/257227240.db2.gz FESRJHXYWDKYBO-LQWHRVPQSA-N 0 0 323.411 5.439 40 10 DKCBRN Fc1ccccc1[C@@H]1Nc2c3ccccc3ccc2[C@@H]2C=CC[C@@H]21 ZINC000408736194 257227155 /nfs/dbraw/zinc/22/71/55/257227155.db2.gz KSXHUCUUGBQQLW-HYFFOGBASA-N 0 0 315.391 5.805 40 10 DKCBRN CCCOc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736208 257227119 /nfs/dbraw/zinc/22/71/19/257227119.db2.gz LHVBJULZPBXVLR-LQWHRVPQSA-N 0 0 323.411 5.441 40 10 DKCBRN Cc1ccc(C)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408736481 257227391 /nfs/dbraw/zinc/22/73/91/257227391.db2.gz VVSLLIBOGVEZSU-GQIGUUNPSA-N 0 0 320.392 5.038 40 10 DKCBRN Cc1cccc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000408737108 257227510 /nfs/dbraw/zinc/22/75/10/257227510.db2.gz JIBSQIZMFPRWCT-HARLFGEKSA-N 0 0 311.428 5.975 40 10 DKCBRN CC(C)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000408741882 257226878 /nfs/dbraw/zinc/22/68/78/257226878.db2.gz LSPTYWRVNSHIOG-GZTJUZNOSA-N 0 0 324.807 5.445 40 10 DKCBRN O=C1OC(c2cccs2)=C/C1=C\c1ccc(Cl)cc1Cl ZINC000409050955 257224309 /nfs/dbraw/zinc/22/43/09/257224309.db2.gz FGZVDXSIDYHLBI-UXBLZVDNSA-N 0 0 323.200 5.036 40 10 DKCBRN Cc1ccc(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c(C)c1 ZINC000409051442 257224065 /nfs/dbraw/zinc/22/40/65/257224065.db2.gz ABUZCBWMQFTMON-XDHOZWIPSA-N 0 0 318.416 5.408 40 10 DKCBRN CSc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1 ZINC000409052794 257224156 /nfs/dbraw/zinc/22/41/56/257224156.db2.gz MFVUGBHNDIEPOS-LFIBNONCSA-N 0 0 322.429 5.007 40 10 DKCBRN O=C1OC(c2cccs2)=C/C1=C\c1c(Cl)cccc1Cl ZINC000409053088 257224201 /nfs/dbraw/zinc/22/42/01/257224201.db2.gz XCGBOGVALUPIBI-VQHVLOKHSA-N 0 0 323.200 5.036 40 10 DKCBRN CSc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1 ZINC000409053200 257224026 /nfs/dbraw/zinc/22/40/26/257224026.db2.gz YNQUJLCCEUBYFT-GZTJUZNOSA-N 0 0 322.429 5.007 40 10 DKCBRN Cc1ccc(C)c(C2=C/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c1 ZINC000409053492 257224163 /nfs/dbraw/zinc/22/41/63/257224163.db2.gz YWFFHZSSYJWDKQ-XDHOZWIPSA-N 0 0 318.416 5.408 40 10 DKCBRN CSc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1 ZINC000409054075 257224319 /nfs/dbraw/zinc/22/43/19/257224319.db2.gz METXEBOWMCBSSI-LFIBNONCSA-N 0 0 322.429 5.007 40 10 DKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000409151257 257222002 /nfs/dbraw/zinc/22/20/02/257222002.db2.gz ATTHANDYODXBJK-NQCMUKECSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409151261 257221664 /nfs/dbraw/zinc/22/16/64/257221664.db2.gz ATTHANDYODXBJK-VPZZIHKRSA-N 0 0 313.803 5.614 40 10 DKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000409151347 257222033 /nfs/dbraw/zinc/22/20/33/257222033.db2.gz BITIFXUAHJDQLP-FUHIMQAGSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000409151351 257221591 /nfs/dbraw/zinc/22/15/91/257221591.db2.gz BITIFXUAHJDQLP-MBOZVWFJSA-N 0 0 309.840 5.729 40 10 DKCBRN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccc3)[C@H]2C1 ZINC000409151991 257221993 /nfs/dbraw/zinc/22/19/93/257221993.db2.gz DGCJHFMPJJCZIS-AWRGLXIESA-N 0 0 323.439 6.180 40 10 DKCBRN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccc3)[C@@H]2C1 ZINC000409151993 257222020 /nfs/dbraw/zinc/22/20/20/257222020.db2.gz DGCJHFMPJJCZIS-YZUZCNPQSA-N 0 0 323.439 6.180 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409152181 257221948 /nfs/dbraw/zinc/22/19/48/257221948.db2.gz DNMMTYDBWACNTL-CKEIUWERSA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409152191 257221595 /nfs/dbraw/zinc/22/15/95/257221595.db2.gz DNMMTYDBWACNTL-CPUCHLNUSA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409152195 257222021 /nfs/dbraw/zinc/22/20/21/257222021.db2.gz DNMMTYDBWACNTL-JKIFEVAISA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409152199 257222024 /nfs/dbraw/zinc/22/20/24/257222024.db2.gz DNMMTYDBWACNTL-KEYYUXOJSA-N 0 0 317.766 5.445 40 10 DKCBRN Cc1cc(Cl)cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 ZINC000409153295 257221729 /nfs/dbraw/zinc/22/17/29/257221729.db2.gz HORKIEPNKBNOBU-GPMSIDNRSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1cc(Cl)cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000409153298 257221746 /nfs/dbraw/zinc/22/17/46/257221746.db2.gz HORKIEPNKBNOBU-JTDSTZFVSA-N 0 0 313.803 5.614 40 10 DKCBRN Fc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000409153546 257221914 /nfs/dbraw/zinc/22/19/14/257221914.db2.gz IHMSWUVYBPHBEK-DYXWJJEUSA-N 0 0 315.391 5.805 40 10 DKCBRN Fc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@H]32)c1 ZINC000409153550 257221812 /nfs/dbraw/zinc/22/18/12/257221812.db2.gz IHMSWUVYBPHBEK-SBHAEUEKSA-N 0 0 315.391 5.805 40 10 DKCBRN CCc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409153642 257221975 /nfs/dbraw/zinc/22/19/75/257221975.db2.gz MAPBINSKWVMDFI-GJYPPUQNSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409153647 257222050 /nfs/dbraw/zinc/22/20/50/257222050.db2.gz MAPBINSKWVMDFI-MDZRGWNJSA-N 0 0 309.840 5.729 40 10 DKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409154328 257221587 /nfs/dbraw/zinc/22/15/87/257221587.db2.gz NOPKYSZEJAMBCH-LPMFXHHGSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000409154330 257222012 /nfs/dbraw/zinc/22/20/12/257222012.db2.gz NOPKYSZEJAMBCH-TYILLQQXSA-N 0 0 313.803 5.614 40 10 DKCBRN CCOc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 ZINC000409154817 257221861 /nfs/dbraw/zinc/22/18/61/257221861.db2.gz PDENWUUQGOAAJI-GPMSIDNRSA-N 0 0 309.384 5.051 40 10 DKCBRN CCOc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000409154827 257222001 /nfs/dbraw/zinc/22/20/01/257222001.db2.gz PDENWUUQGOAAJI-JTDSTZFVSA-N 0 0 309.384 5.051 40 10 DKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 ZINC000409156036 257221712 /nfs/dbraw/zinc/22/17/12/257221712.db2.gz SSKCDDGPIKWCLM-QWFCFKBJSA-N 0 0 307.412 5.776 40 10 DKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000409156040 257222009 /nfs/dbraw/zinc/22/20/09/257222009.db2.gz SSKCDDGPIKWCLM-WSTZPKSXSA-N 0 0 307.412 5.776 40 10 DKCBRN Cc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 ZINC000409156228 257221984 /nfs/dbraw/zinc/22/19/84/257221984.db2.gz RHMGXYRVNYGREP-SPYBWZPUSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000409156230 257221991 /nfs/dbraw/zinc/22/19/91/257221991.db2.gz RHMGXYRVNYGREP-ZRGWGRIASA-N 0 0 313.803 5.614 40 10 DKCBRN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccn3)[C@H]2C1 ZINC000409157213 257222032 /nfs/dbraw/zinc/22/20/32/257222032.db2.gz UZMKDLNVEZVTEA-YDHSSHFGSA-N 0 0 324.427 5.575 40 10 DKCBRN C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccccn3)[C@@H]2C1 ZINC000409157225 257221757 /nfs/dbraw/zinc/22/17/57/257221757.db2.gz UZMKDLNVEZVTEA-YYDVJCTNSA-N 0 0 324.427 5.575 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000409157874 257221734 /nfs/dbraw/zinc/22/17/34/257221734.db2.gz WCLGOBBYSRQXNH-BWACUDIHSA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409157880 257221850 /nfs/dbraw/zinc/22/18/50/257221850.db2.gz WCLGOBBYSRQXNH-PEBVRCNWSA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000409157883 257221692 /nfs/dbraw/zinc/22/16/92/257221692.db2.gz WCLGOBBYSRQXNH-PSTGCABASA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409157887 257221760 /nfs/dbraw/zinc/22/17/60/257221760.db2.gz WCLGOBBYSRQXNH-QFSBIZTOSA-N 0 0 317.766 5.445 40 10 DKCBRN Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409157951 257221833 /nfs/dbraw/zinc/22/18/33/257221833.db2.gz XASMXLMMUSPAQT-HLIPFELVSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000409157953 257221818 /nfs/dbraw/zinc/22/18/18/257221818.db2.gz XASMXLMMUSPAQT-QKLQHJQFSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409157956 257221764 /nfs/dbraw/zinc/22/17/64/257221764.db2.gz XASMXLMMUSPAQT-UWVAXJGDSA-N 0 0 309.840 5.783 40 10 DKCBRN Cc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409157959 257221995 /nfs/dbraw/zinc/22/19/95/257221995.db2.gz XASMXLMMUSPAQT-ZWOKBUDYSA-N 0 0 309.840 5.783 40 10 DKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000409158999 257221921 /nfs/dbraw/zinc/22/19/21/257221921.db2.gz YROTUSFYXHPANM-RKVPGOIHSA-N 0 0 315.338 5.532 40 10 DKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000409159011 257221979 /nfs/dbraw/zinc/22/19/79/257221979.db2.gz YROTUSFYXHPANM-RVKKMQEKSA-N 0 0 315.338 5.532 40 10 DKCBRN FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000409159015 257221931 /nfs/dbraw/zinc/22/19/31/257221931.db2.gz YROTUSFYXHPANM-VKJFTORMSA-N 0 0 315.338 5.532 40 10 DKCBRN CCc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409159301 257221694 /nfs/dbraw/zinc/22/16/94/257221694.db2.gz SIVIJIPBCUYGSS-HLIPFELVSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409159302 257222029 /nfs/dbraw/zinc/22/20/29/257222029.db2.gz SIVIJIPBCUYGSS-UWVAXJGDSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409159430 257221723 /nfs/dbraw/zinc/22/17/23/257221723.db2.gz UBUKHAWFTWBBNT-SIFCLUCFSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409159434 257221917 /nfs/dbraw/zinc/22/19/17/257221917.db2.gz UBUKHAWFTWBBNT-SXGZJXTBSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409159647 257221816 /nfs/dbraw/zinc/22/18/16/257221816.db2.gz VZKRWALCHFVEAE-GJYPPUQNSA-N 0 0 311.375 5.354 40 10 DKCBRN CCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409159651 257222030 /nfs/dbraw/zinc/22/20/30/257222030.db2.gz VZKRWALCHFVEAE-MDZRGWNJSA-N 0 0 311.375 5.354 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 ZINC000409159784 257221603 /nfs/dbraw/zinc/22/16/03/257221603.db2.gz UPMWNZWNJOUAAA-PEBVRCNWSA-N 0 0 317.219 5.215 40 10 DKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 ZINC000409159785 257221761 /nfs/dbraw/zinc/22/17/61/257221761.db2.gz UPMWNZWNJOUAAA-QFSBIZTOSA-N 0 0 317.219 5.215 40 10 DKCBRN CCc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409160261 257222026 /nfs/dbraw/zinc/22/20/26/257222026.db2.gz WOJXTKJJZZDDQN-LQWHRVPQSA-N 0 0 323.867 6.037 40 10 DKCBRN CCc1ccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409160378 257221678 /nfs/dbraw/zinc/22/16/78/257221678.db2.gz WOJXTKJJZZDDQN-OPYAIIAOSA-N 0 0 323.867 6.037 40 10 DKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21 ZINC000409161214 257221642 /nfs/dbraw/zinc/22/16/42/257221642.db2.gz ZLGXOPHOZZMESM-WPKBUWHJSA-N 0 0 315.338 5.532 40 10 DKCBRN FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21 ZINC000409161216 257221599 /nfs/dbraw/zinc/22/15/99/257221599.db2.gz ZLGXOPHOZZMESM-XAYKYTGQSA-N 0 0 315.338 5.532 40 10 DKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409161807 257221634 /nfs/dbraw/zinc/22/16/34/257221634.db2.gz AZNQYEWHZRFQHG-GPMSIDNRSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000409161810 257221638 /nfs/dbraw/zinc/22/16/38/257221638.db2.gz AZNQYEWHZRFQHG-JTDSTZFVSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 ZINC000409161893 257221775 /nfs/dbraw/zinc/22/17/75/257221775.db2.gz ZXTWQGLYGLNCAT-SPYBWZPUSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 ZINC000409161895 257221857 /nfs/dbraw/zinc/22/18/57/257221857.db2.gz ZXTWQGLYGLNCAT-ZRGWGRIASA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000409161921 257221883 /nfs/dbraw/zinc/22/18/83/257221883.db2.gz XAZPXGMEVIWJPB-NQCMUKECSA-N 0 0 313.803 5.614 40 10 DKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409161922 257221788 /nfs/dbraw/zinc/22/17/88/257221788.db2.gz XAZPXGMEVIWJPB-VPZZIHKRSA-N 0 0 313.803 5.614 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000409162022 257221622 /nfs/dbraw/zinc/22/16/22/257221622.db2.gz CAPKRWWBGAWSLZ-CKEIUWERSA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000409162023 257222046 /nfs/dbraw/zinc/22/20/46/257222046.db2.gz CAPKRWWBGAWSLZ-CPUCHLNUSA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000409162024 257222037 /nfs/dbraw/zinc/22/20/37/257222037.db2.gz CAPKRWWBGAWSLZ-JKIFEVAISA-N 0 0 317.766 5.445 40 10 DKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000409162025 257222052 /nfs/dbraw/zinc/22/20/52/257222052.db2.gz CAPKRWWBGAWSLZ-KEYYUXOJSA-N 0 0 317.766 5.445 40 10 DKCBRN CCc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000409162237 257221978 /nfs/dbraw/zinc/22/19/78/257221978.db2.gz YUPCZRZMBJTOMB-ILZDJORESA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000409162238 257221740 /nfs/dbraw/zinc/22/17/40/257221740.db2.gz YUPCZRZMBJTOMB-XKGZKEIXSA-N 0 0 309.840 5.729 40 10 DKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000409163230 257221613 /nfs/dbraw/zinc/22/16/13/257221613.db2.gz NWTGYPAYRDSASF-HBUWYVDXSA-N 0 0 311.812 5.175 40 10 DKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000409163231 257222023 /nfs/dbraw/zinc/22/20/23/257222023.db2.gz NWTGYPAYRDSASF-QWQRMKEZSA-N 0 0 311.812 5.175 40 10 DKCBRN CC(C)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000409165099 257221956 /nfs/dbraw/zinc/22/19/56/257221956.db2.gz SKACCDVOSPLJSK-WJPUGNRLSA-N 0 0 307.412 5.776 40 10 DKCBRN CC(C)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409165100 257221671 /nfs/dbraw/zinc/22/16/71/257221671.db2.gz SKACCDVOSPLJSK-XPIZARPCSA-N 0 0 307.412 5.776 40 10 DKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 ZINC000409166186 257221942 /nfs/dbraw/zinc/22/19/42/257221942.db2.gz CXQHSXHICXNYAC-FUHIMQAGSA-N 0 0 309.384 5.051 40 10 DKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 ZINC000409166188 257221898 /nfs/dbraw/zinc/22/18/98/257221898.db2.gz CXQHSXHICXNYAC-MBOZVWFJSA-N 0 0 309.384 5.051 40 10 DKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409167392 257221796 /nfs/dbraw/zinc/22/17/96/257221796.db2.gz IMXRVLQQKVKXDZ-LQWHRVPQSA-N 0 0 321.439 5.950 40 10 DKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409167398 257221810 /nfs/dbraw/zinc/22/18/10/257221810.db2.gz IMXRVLQQKVKXDZ-OPYAIIAOSA-N 0 0 321.439 5.950 40 10 DKCBRN CCc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409167682 257221615 /nfs/dbraw/zinc/22/16/15/257221615.db2.gz JEYJJUFUNLAIKQ-NBQZKYEYSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409167685 257221773 /nfs/dbraw/zinc/22/17/73/257221773.db2.gz JEYJJUFUNLAIKQ-UVFQYZLESA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409169442 257221965 /nfs/dbraw/zinc/22/19/65/257221965.db2.gz QVCZRZSGKIFVHW-ILZDJORESA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409169443 257221661 /nfs/dbraw/zinc/22/16/61/257221661.db2.gz QVCZRZSGKIFVHW-XKGZKEIXSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409170266 257221572 /nfs/dbraw/zinc/22/15/72/257221572.db2.gz VAPCFQIYHPQMMS-FUHIMQAGSA-N 0 0 309.840 5.729 40 10 DKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409170271 257221996 /nfs/dbraw/zinc/22/19/96/257221996.db2.gz VAPCFQIYHPQMMS-MBOZVWFJSA-N 0 0 309.840 5.729 40 10 DKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409172985 257221215 /nfs/dbraw/zinc/22/12/15/257221215.db2.gz HAXBKZFFIYQJNZ-HLIPFELVSA-N 0 0 321.439 5.950 40 10 DKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409172989 257221064 /nfs/dbraw/zinc/22/10/64/257221064.db2.gz HAXBKZFFIYQJNZ-UWVAXJGDSA-N 0 0 321.439 5.950 40 10 DKCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000409173497 257221276 /nfs/dbraw/zinc/22/12/76/257221276.db2.gz IWTCSXBKSOUBQM-CKEIUWERSA-N 0 0 315.338 5.532 40 10 DKCBRN FC(F)(F)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000409173498 257221348 /nfs/dbraw/zinc/22/13/48/257221348.db2.gz IWTCSXBKSOUBQM-JKIFEVAISA-N 0 0 315.338 5.532 40 10 DKCBRN CCOc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409175663 257221071 /nfs/dbraw/zinc/22/10/71/257221071.db2.gz UGMHMXUVVMJVHA-LPMFXHHGSA-N 0 0 309.384 5.051 40 10 DKCBRN CCOc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 ZINC000409175664 257221011 /nfs/dbraw/zinc/22/10/11/257221011.db2.gz UGMHMXUVVMJVHA-TYILLQQXSA-N 0 0 309.384 5.051 40 10 DKCBRN Cc1ccc(C(=O)C(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1 ZINC000409206111 257220447 /nfs/dbraw/zinc/22/04/47/257220447.db2.gz VFNJLLJPQHZYDD-UHFFFAOYSA-N 0 0 314.812 5.012 40 10 DKCBRN Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000409330890 257220245 /nfs/dbraw/zinc/22/02/45/257220245.db2.gz CPMDIUVOBJWNFV-FDYHWXHSSA-N 0 0 318.247 5.146 40 10 DKCBRN Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 ZINC000409330900 257220362 /nfs/dbraw/zinc/22/03/62/257220362.db2.gz CPMDIUVOBJWNFV-QNWHQSFQSA-N 0 0 318.247 5.146 40 10 DKCBRN Clc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000409330905 257220089 /nfs/dbraw/zinc/22/00/89/257220089.db2.gz CPMDIUVOBJWNFV-UMSGYPCISA-N 0 0 318.247 5.146 40 10 DKCBRN