smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC[C@@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 ZINC000000347538 563288040 /nfs/dbraw/zinc/28/80/40/563288040.db2.gz COHMSQBLJMBJBN-AWEZNQCLSA-N 0 3 330.884 5.050 50 30 EKEAHN CN(C)CC[C@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 ZINC000000347539 563288000 /nfs/dbraw/zinc/28/80/00/563288000.db2.gz COHMSQBLJMBJBN-CQSZACIVSA-N 0 3 330.884 5.050 50 30 EKEAHN CC(C)C(C#CCN1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001763584 564087382 /nfs/dbraw/zinc/08/73/82/564087382.db2.gz FMDQPLRMMIWUHW-UHFFFAOYSA-N 0 3 331.503 5.118 50 30 EKEAHN CCCCCCCCN(CCN(C)C)c1cccc2ccccc21 ZINC000002022450 520033838 /nfs/dbraw/zinc/03/38/38/520033838.db2.gz XUHDUNFVMIZOLP-UHFFFAOYSA-N 0 3 326.528 5.568 50 30 EKEAHN CC(=Nc1ccc(C2CCCC2)cc1)Nc1ccc(C2CCCC2)cc1 ZINC000002193166 563426634 /nfs/dbraw/zinc/42/66/34/563426634.db2.gz DZLHOGMVFFGBFY-UHFFFAOYSA-N 0 3 346.518 7.164 50 30 EKEAHN CC(C)(C)C(C#CCN1CCCC1)(c1ccccc1)c1ccccc1 ZINC000002287587 564130251 /nfs/dbraw/zinc/13/02/51/564130251.db2.gz QSUWRZNQZUZONQ-UHFFFAOYSA-N 0 3 331.503 5.118 50 30 EKEAHN CN(c1ccc(/C=N/C[C@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000003216648 523633874 /nfs/dbraw/zinc/63/38/74/523633874.db2.gz KMDQQGYCGTZUCM-KCOUNZPASA-N 0 3 344.458 5.206 50 30 EKEAHN CN(c1ccc(/C=N/C[C@@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000003216650 523635475 /nfs/dbraw/zinc/63/54/75/523635475.db2.gz KMDQQGYCGTZUCM-DOZBRYHWSA-N 0 3 344.458 5.206 50 30 EKEAHN CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000004180331 520881621 /nfs/dbraw/zinc/88/16/21/520881621.db2.gz YGBCLRRWZQSURU-LYBHJNIJSA-N 0 3 343.474 5.705 50 30 EKEAHN CC(C)C1=C/C(=C/c2ccccc2)C(C)/C(=C/c2ccccc2)C1=O ZINC000004509659 210209114 /nfs/dbraw/zinc/20/91/14/210209114.db2.gz GBDBYNWRLLDETJ-XHQQSXMBSA-N 0 3 328.455 5.955 50 30 EKEAHN CC(C)C1=C/C(=C/c2ccccc2)C(C)/C(=C/c2ccccc2)C1=O ZINC000004509662 210208570 /nfs/dbraw/zinc/20/85/70/210208570.db2.gz GBDBYNWRLLDETJ-JYRHWBOBSA-N 0 3 328.455 5.955 50 30 EKEAHN C=CC[C@]1(O)[C@H](CCC)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000004652798 210238675 /nfs/dbraw/zinc/23/86/75/210238675.db2.gz XLHFFKXZZVJLIA-PIAWWSJMSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CCC ZINC000004652799 210238759 /nfs/dbraw/zinc/23/87/59/210238759.db2.gz XLHFFKXZZVJLIA-KGZUAYNTSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CC[C@]1(O)[C@H](CCC)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000004652800 210238986 /nfs/dbraw/zinc/23/89/86/210238986.db2.gz XLHFFKXZZVJLIA-GPDNFFQDSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000004652801 210238362 /nfs/dbraw/zinc/23/83/62/210238362.db2.gz XLHFFKXZZVJLIA-OTGYPNLISA-N 0 3 349.518 5.432 50 30 EKEAHN C=CCOc1c(Cl)cc(CN[C@@H](C)c2ccccc2)cc1Cl ZINC000004811008 210283697 /nfs/dbraw/zinc/28/36/97/210283697.db2.gz KDQNZXLRBYTQND-ZDUSSCGKSA-N 0 3 336.262 5.409 50 30 EKEAHN C=CCOc1c(Cl)cc(CN[C@H](C)c2ccccc2)cc1Cl ZINC000004811009 210283493 /nfs/dbraw/zinc/28/34/93/210283493.db2.gz KDQNZXLRBYTQND-CYBMUJFWSA-N 0 3 336.262 5.409 50 30 EKEAHN C=C(C)CN(CC)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000005031978 564070561 /nfs/dbraw/zinc/07/05/61/564070561.db2.gz OBXWSHLVNRBHHA-UHFFFAOYSA-N 0 3 349.474 5.815 50 30 EKEAHN C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005067232 210382093 /nfs/dbraw/zinc/38/20/93/210382093.db2.gz WVYVXHXBWSTQOR-HWHRFOGPSA-N 0 3 335.491 5.022 50 30 EKEAHN FC(F)Oc1ccc(/C=N/CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005445552 564032315 /nfs/dbraw/zinc/03/23/15/564032315.db2.gz REVBWEPVXINRGC-YDZHTSKRSA-N 0 3 333.422 5.313 50 30 EKEAHN Cc1ccc(N=C(Nc2ccc(C)cc2)Nc2ccc(C)cc2)cc1 ZINC000005659192 524990548 /nfs/dbraw/zinc/99/05/48/524990548.db2.gz VHULDBQGXDJTFU-UHFFFAOYSA-N 0 3 329.447 5.824 50 30 EKEAHN C=CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000006855832 518950386 /nfs/dbraw/zinc/95/03/86/518950386.db2.gz GFAJIAMRUIZVTO-UHFFFAOYSA-N 0 3 337.850 5.348 50 30 EKEAHN C=CCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000006855840 518950276 /nfs/dbraw/zinc/95/02/76/518950276.db2.gz UKSWHGDLELNEFF-UHFFFAOYSA-N 0 3 337.850 5.348 50 30 EKEAHN C=CCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315586 211162587 /nfs/dbraw/zinc/16/25/87/211162587.db2.gz XDVPWRHLJRYXPM-UHFFFAOYSA-N 0 3 345.273 5.272 50 30 EKEAHN C=C(C)C[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC ZINC000013451644 564130099 /nfs/dbraw/zinc/13/00/99/564130099.db2.gz SBRJFDJPIAPOCA-ODAXIHTASA-N 0 3 335.491 5.186 50 30 EKEAHN C=C(C)C[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC ZINC000013451649 564130102 /nfs/dbraw/zinc/13/01/02/564130102.db2.gz SBRJFDJPIAPOCA-AFXVXQJMSA-N 0 3 335.491 5.186 50 30 EKEAHN C=C(C)C[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC ZINC000013451654 564130106 /nfs/dbraw/zinc/13/01/06/564130106.db2.gz SBRJFDJPIAPOCA-LUKWVAJMSA-N 0 3 335.491 5.186 50 30 EKEAHN C=C(C)C[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC ZINC000013451659 564073855 /nfs/dbraw/zinc/07/38/55/564073855.db2.gz SBRJFDJPIAPOCA-BJESRGMDSA-N 0 3 335.491 5.186 50 30 EKEAHN C=CC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C(C)C ZINC000013633517 564129019 /nfs/dbraw/zinc/12/90/19/564129019.db2.gz SABFVQHSNHWNOI-ODAXIHTASA-N 0 3 335.491 5.042 50 30 EKEAHN C=CC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C(C)C ZINC000013633523 564129016 /nfs/dbraw/zinc/12/90/16/564129016.db2.gz SABFVQHSNHWNOI-LUKWVAJMSA-N 0 3 335.491 5.042 50 30 EKEAHN C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@H]1C ZINC000015723151 563974314 /nfs/dbraw/zinc/97/43/14/563974314.db2.gz WVYVXHXBWSTQOR-QQUTXWOLSA-N 0 3 335.491 5.022 50 30 EKEAHN C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000015723154 563974321 /nfs/dbraw/zinc/97/43/21/563974321.db2.gz WVYVXHXBWSTQOR-AWDZXFJFSA-N 0 3 335.491 5.022 50 30 EKEAHN C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H]1C ZINC000015723157 211845556 /nfs/dbraw/zinc/84/55/56/211845556.db2.gz WVYVXHXBWSTQOR-MKWLTTDUSA-N 0 3 335.491 5.022 50 30 EKEAHN C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CCC ZINC000017143614 564129032 /nfs/dbraw/zinc/12/90/32/564129032.db2.gz XLHFFKXZZVJLIA-JXIQEMPDSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000017143616 564038629 /nfs/dbraw/zinc/03/86/29/564038629.db2.gz XLHFFKXZZVJLIA-ZYAIEFSKSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC ZINC000017143618 564129052 /nfs/dbraw/zinc/12/90/52/564129052.db2.gz XLHFFKXZZVJLIA-KCDSLRJUSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CCC ZINC000017143620 564038614 /nfs/dbraw/zinc/03/86/14/564038614.db2.gz XLHFFKXZZVJLIA-FBHBTBFLSA-N 0 3 349.518 5.432 50 30 EKEAHN C=CCNCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736102 518950325 /nfs/dbraw/zinc/95/03/25/518950325.db2.gz PCYPLBWMKKHRHA-UHFFFAOYSA-N 0 3 337.850 5.348 50 30 EKEAHN CCc1ccc([C@@H](C)NCc2ccc(N(CC)CCC#N)cc2C)cc1 ZINC000057681748 564155484 /nfs/dbraw/zinc/15/54/84/564155484.db2.gz MYAXFGVFTOKUNR-LJQANCHMSA-N 0 3 349.522 5.148 50 30 EKEAHN CCc1ccc([C@H](C)NCc2ccc(N(CC)CCC#N)cc2C)cc1 ZINC000057681749 564155462 /nfs/dbraw/zinc/15/54/62/564155462.db2.gz MYAXFGVFTOKUNR-IBGZPJMESA-N 0 3 349.522 5.148 50 30 EKEAHN C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1cccc(C#N)c1)C1CC1 ZINC000059578189 564161578 /nfs/dbraw/zinc/16/15/78/564161578.db2.gz NXMHCYYYZWMZEG-AWEZNQCLSA-N 0 3 344.380 5.303 50 30 EKEAHN C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1cccc(C#N)c1)C1CC1 ZINC000059578192 564161549 /nfs/dbraw/zinc/16/15/49/564161549.db2.gz NXMHCYYYZWMZEG-CQSZACIVSA-N 0 3 344.380 5.303 50 30 EKEAHN C=CCN(CC=C)CCCN1c2ccccc2Sc2ccccc21 ZINC000071766930 563929593 /nfs/dbraw/zinc/92/95/93/563929593.db2.gz VRIQPXSTNHBIHL-UHFFFAOYSA-N 0 3 336.504 5.353 50 30 EKEAHN CCCCCCCNCc1cccc(OC)c1OCc1ccccc1 ZINC000078645612 217093029 /nfs/dbraw/zinc/09/30/29/217093029.db2.gz OKBAMLDTQCIKSN-UHFFFAOYSA-N 0 3 341.495 5.334 50 30 EKEAHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000095410936 564139659 /nfs/dbraw/zinc/13/96/59/564139659.db2.gz JVKUFDHEEIAOCB-SFHVURJKSA-N 0 3 342.442 5.027 50 30 EKEAHN C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000095410936 564139658 /nfs/dbraw/zinc/13/96/58/564139658.db2.gz JVKUFDHEEIAOCB-SFHVURJKSA-N 0 3 342.442 5.027 50 30 EKEAHN C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000095410937 218348185 /nfs/dbraw/zinc/34/81/85/218348185.db2.gz JVKUFDHEEIAOCB-GOSISDBHSA-N 0 3 342.442 5.027 50 30 EKEAHN C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000095410937 218348183 /nfs/dbraw/zinc/34/81/83/218348183.db2.gz JVKUFDHEEIAOCB-GOSISDBHSA-N 0 3 342.442 5.027 50 30 EKEAHN CCCCCCCCCCCCCCCCCC(=O)CCN(C)C ZINC000095742865 563977637 /nfs/dbraw/zinc/97/76/37/563977637.db2.gz KPZVHSHJIULHQX-UHFFFAOYSA-N 0 3 339.608 6.769 50 30 EKEAHN CCCCCCCCOCCN(C)CCOCCCCCCCC ZINC000097950566 563982131 /nfs/dbraw/zinc/98/21/31/563982131.db2.gz BBAQRYLRTHCATR-UHFFFAOYSA-N 0 3 343.596 5.672 50 30 EKEAHN CCCCCCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000097960185 563967514 /nfs/dbraw/zinc/96/75/14/563967514.db2.gz DSMUZZFYHDBSQQ-IWGRKNQJSA-N 0 3 347.546 6.686 50 30 EKEAHN CCCCCCCCCCCCc1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000097973036 563982111 /nfs/dbraw/zinc/98/21/11/563982111.db2.gz AMGSNXSUOOFCRL-UHFFFAOYSA-N 0 3 347.587 6.697 50 30 EKEAHN CCCCCCCCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000097973072 563968386 /nfs/dbraw/zinc/96/83/86/563968386.db2.gz CAUZLVODVIYYPR-UHFFFAOYSA-N 0 3 346.515 5.948 50 30 EKEAHN CCCCCCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000097994905 219066753 /nfs/dbraw/zinc/06/67/53/219066753.db2.gz NTWVUVXBOKEZCR-UHFFFAOYSA-N 0 3 333.903 6.359 50 30 EKEAHN CCCCCCCOc1ccc(CNCc2ccc(OC)cc2)cc1 ZINC000100042545 563982317 /nfs/dbraw/zinc/98/23/17/563982317.db2.gz MHVSJTWBFBKHEG-UHFFFAOYSA-N 0 3 341.495 5.334 50 30 EKEAHN CCCCCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100935807 563982837 /nfs/dbraw/zinc/98/28/37/563982837.db2.gz ONLWNBYEWNAUOB-UHFFFAOYSA-N 0 3 343.342 5.476 50 30 EKEAHN CCCCCCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000102559559 219209913 /nfs/dbraw/zinc/20/99/13/219209913.db2.gz XDVNNLHJADZIDL-UHFFFAOYSA-N 0 3 337.866 6.189 50 30 EKEAHN CCCCCCCCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000102559621 204041857 /nfs/dbraw/zinc/04/18/57/204041857.db2.gz QZWDKJAIZJZZLH-UHFFFAOYSA-N 0 3 333.903 6.359 50 30 EKEAHN CCCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102559709 219210074 /nfs/dbraw/zinc/21/00/74/219210074.db2.gz LGVALDSCINSAJR-UHFFFAOYSA-N 0 3 340.294 6.313 50 30 EKEAHN CCCCCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000102560812 219209993 /nfs/dbraw/zinc/20/99/93/219209993.db2.gz SHQOTXAJDSQLQZ-UHFFFAOYSA-N 0 3 340.294 6.313 50 30 EKEAHN CCCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102560991 219210617 /nfs/dbraw/zinc/21/06/17/219210617.db2.gz CZLWSJRUALUECE-UHFFFAOYSA-N 0 3 340.294 6.313 50 30 EKEAHN CCCCCCCCNCc1cc(Cl)cc(Cl)c1OCC ZINC000102561701 520035089 /nfs/dbraw/zinc/03/50/89/520035089.db2.gz JEHCXDJZEHPSQN-UHFFFAOYSA-N 0 3 332.315 5.842 50 30 EKEAHN CCCCCCCCNCc1cc(Br)ccc1OCC ZINC000102561808 563983232 /nfs/dbraw/zinc/98/32/32/563983232.db2.gz AOIYUKJMQTXJIV-UHFFFAOYSA-N 0 3 342.321 5.298 50 30 EKEAHN CCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000102568153 219211034 /nfs/dbraw/zinc/21/10/34/219211034.db2.gz OFFNKTXDCNKMIO-UHFFFAOYSA-N 0 3 345.914 5.979 50 30 EKEAHN CCCCCCCCNCc1cc(Cl)cc(OC)c1OCC ZINC000104209230 563983543 /nfs/dbraw/zinc/98/35/43/563983543.db2.gz SFZHTDDDARLGFT-UHFFFAOYSA-N 0 3 327.896 5.197 50 30 EKEAHN CCCCCCCNCc1cc(Br)ccc1OCCC ZINC000104466189 563983627 /nfs/dbraw/zinc/98/36/27/563983627.db2.gz ZZTGYVMVMDCGIO-UHFFFAOYSA-N 0 3 342.321 5.298 50 30 EKEAHN CCCCCCCNCc1cc(Cl)cc(Cl)c1OCCC ZINC000104466656 563983623 /nfs/dbraw/zinc/98/36/23/563983623.db2.gz RFQOMYFEWBZGJW-UHFFFAOYSA-N 0 3 332.315 5.842 50 30 EKEAHN CCCCCCCCNCc1cc(Cl)cc(Cl)c1OCCC ZINC000104466697 563983619 /nfs/dbraw/zinc/98/36/19/563983619.db2.gz FXOUDRLOOBXCOY-UHFFFAOYSA-N 0 3 346.342 6.232 50 30 EKEAHN CCCCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000105345456 563983750 /nfs/dbraw/zinc/98/37/50/563983750.db2.gz REMYVKWOTUAQDE-UHFFFAOYSA-N 0 3 335.875 5.669 50 30 EKEAHN CCCCCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000105345564 563983729 /nfs/dbraw/zinc/98/37/29/563983729.db2.gz ZBYMHJZEPXZRSS-UHFFFAOYSA-N 0 3 349.902 6.059 50 30 EKEAHN CCCCCCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000106953473 563983960 /nfs/dbraw/zinc/98/39/60/563983960.db2.gz ADJBYSPAMRQKAS-UHFFFAOYSA-N 0 3 339.401 6.025 50 30 EKEAHN CCCCCCCCNCc1cc(Cl)cc(OC)c1OCCC ZINC000106962855 563983976 /nfs/dbraw/zinc/98/39/76/563983976.db2.gz ZYTQVDHJIJHHKL-UHFFFAOYSA-N 0 3 341.923 5.588 50 30 EKEAHN CCCCCCCNCc1cc(Cl)cc(OC)c1OCCC ZINC000106963272 563983948 /nfs/dbraw/zinc/98/39/48/563983948.db2.gz CZVIGTFWFDGVCN-UHFFFAOYSA-N 0 3 327.896 5.197 50 30 EKEAHN CCCCCCCNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000106965332 563983958 /nfs/dbraw/zinc/98/39/58/563983958.db2.gz UATACOUQAWBEQU-UHFFFAOYSA-N 0 3 332.315 5.841 50 30 EKEAHN CCCCCCCNCc1cc(Br)ccc1OC(C)C ZINC000106965738 563983972 /nfs/dbraw/zinc/98/39/72/563983972.db2.gz GLWVVNQHNSWNOV-UHFFFAOYSA-N 0 3 342.321 5.296 50 30 EKEAHN CCCCCCCCNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000106966017 563984018 /nfs/dbraw/zinc/98/40/18/563984018.db2.gz OIUCHJZERGPHFN-UHFFFAOYSA-N 0 3 346.342 6.231 50 30 EKEAHN CCCCCCCCNCc1cc(Cl)cc(OC)c1OC(C)C ZINC000106968884 563983980 /nfs/dbraw/zinc/98/39/80/563983980.db2.gz FJYLDTMEBVBXFW-UHFFFAOYSA-N 0 3 341.923 5.586 50 30 EKEAHN CCCCCCCNCc1cc(Cl)cc(OC)c1OC(C)C ZINC000106969977 520057832 /nfs/dbraw/zinc/05/78/32/520057832.db2.gz LJEMURKGCPYDNG-UHFFFAOYSA-N 0 3 327.896 5.196 50 30 EKEAHN C=CCNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247987328 564132022 /nfs/dbraw/zinc/13/20/22/564132022.db2.gz JDQSJVSIBAZEHA-UHFFFAOYSA-N 0 3 345.273 5.272 50 30 EKEAHN C=CCNCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247988407 564132009 /nfs/dbraw/zinc/13/20/09/564132009.db2.gz JLTGINYAUYUDIS-UHFFFAOYSA-N 0 3 345.273 5.272 50 30 EKEAHN