smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-c2nc3cc(CN4CCCCC4)ccc3o2)cc1 ZINC000000068825 563214768 /nfs/dbraw/zinc/21/47/68/563214768.db2.gz DKJLSDBYIWDWRK-UHFFFAOYSA-N 0 3 326.827 5.134 50 0 EKAAHN CCOC(=O)c1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000000071956 563974394 /nfs/dbraw/zinc/97/43/94/563974394.db2.gz UUJQLUXNLHIGRD-UHFFFAOYSA-N 0 3 334.419 5.080 50 0 EKAAHN O=C(CC(C(=O)c1cccs1)c1ccsc1)c1cccs1 ZINC000000109463 563229261 /nfs/dbraw/zinc/22/92/61/563229261.db2.gz GWMWXYPTUCHUAT-LBPRGKRZSA-N 0 3 332.471 5.111 50 0 EKAAHN O=C(CC(C(=O)c1cccs1)c1ccsc1)c1cccs1 ZINC000000109468 563229302 /nfs/dbraw/zinc/22/93/02/563229302.db2.gz GWMWXYPTUCHUAT-GFCCVEGCSA-N 0 3 332.471 5.111 50 0 EKAAHN FC(F)(F)c1cccc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000000122837 563986831 /nfs/dbraw/zinc/98/68/31/563986831.db2.gz ARHFTGVTFPUMMX-UHFFFAOYSA-N 0 3 328.337 5.486 50 0 EKAAHN CC(C)N(C(C)C)P(OCc1ccccc1)OCc1ccccc1 ZINC000000155860 563247827 /nfs/dbraw/zinc/24/78/27/563247827.db2.gz ANPWLBTUUNFQIO-UHFFFAOYSA-N 0 3 345.423 5.766 50 0 in-vitro EKAAHN Cc1cccc2c3c(c(C)nc12)CCN3c1cccc(C(F)(F)F)c1 ZINC000000159006 563248490 /nfs/dbraw/zinc/24/84/90/563248490.db2.gz OTYSXTGJZZMGQV-UHFFFAOYSA-N 0 3 342.364 5.565 50 0 EKAAHN Cc1cc(Nc2ccc(Br)cc2)c2ccc(C)c(C)c2n1 ZINC000000183384 563254828 /nfs/dbraw/zinc/25/48/28/563254828.db2.gz SLYACUQQABGWLN-UHFFFAOYSA-N 0 3 341.252 5.666 50 0 EKAAHN COc1cc(Cl)c(C)cc1Nc1c2c(nc3ccccc31)CCC2 ZINC000000211909 563829475 /nfs/dbraw/zinc/82/94/75/563829475.db2.gz JOFBFAFKDRSJFC-UHFFFAOYSA-N 0 3 338.838 5.438 50 0 EKAAHN CC1=C(CCN2CCN(c3cccc(Cl)c3)CC2)C(C)(C)CCC1 ZINC000000212115 563261164 /nfs/dbraw/zinc/26/11/64/563261164.db2.gz TUJMPLYHTCHYDT-UHFFFAOYSA-N 0 3 346.946 5.379 50 0 EKAAHN CCN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000000213220 563261473 /nfs/dbraw/zinc/26/14/73/563261473.db2.gz AWUKMELMMYRBMQ-UHFFFAOYSA-N 0 3 325.839 5.622 50 0 EKAAHN Cc1ccc2nc(C)cc(Nc3ccccc3Br)c2c1 ZINC000000256277 563267416 /nfs/dbraw/zinc/26/74/16/563267416.db2.gz PEWMNADCNXTFQR-UHFFFAOYSA-N 0 3 327.225 5.358 50 0 EKAAHN CCOc1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000318837 563991023 /nfs/dbraw/zinc/99/10/23/563991023.db2.gz PUBHTXCVOXPZJB-UHFFFAOYSA-N 0 3 346.352 5.704 50 0 EKAAHN COc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1 ZINC000000344392 563991436 /nfs/dbraw/zinc/99/14/36/563991436.db2.gz VGIBEFQNLZOXII-UHFFFAOYSA-N 0 3 333.218 5.602 50 0 EKAAHN COc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000344398 563991429 /nfs/dbraw/zinc/99/14/29/563991429.db2.gz LCYCNNMILXDYJX-UHFFFAOYSA-N 0 3 343.224 5.058 50 0 EKAAHN CN1CCC([C@@H]2Sc3ccccc3Oc3ccc(Cl)cc32)CC1 ZINC000000347654 563991419 /nfs/dbraw/zinc/99/14/19/563991419.db2.gz IFACQIJBFUSDCD-IBGZPJMESA-N 0 3 345.895 5.621 50 0 EKAAHN CN1CCC([C@H]2Sc3ccccc3Oc3ccc(Cl)cc32)CC1 ZINC000000347655 563991450 /nfs/dbraw/zinc/99/14/50/563991450.db2.gz IFACQIJBFUSDCD-LJQANCHMSA-N 0 3 345.895 5.621 50 0 EKAAHN CN1CCC([C@@H]2Oc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000000347656 563288366 /nfs/dbraw/zinc/28/83/66/563288366.db2.gz DJBLGERXKWAXLD-IBGZPJMESA-N 0 3 345.895 5.267 50 0 EKAAHN CN1CCC([C@H]2Oc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000000347657 563288388 /nfs/dbraw/zinc/28/83/88/563288388.db2.gz DJBLGERXKWAXLD-LJQANCHMSA-N 0 3 345.895 5.267 50 0 EKAAHN CN(C)CCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347677 563288397 /nfs/dbraw/zinc/28/83/97/563288397.db2.gz ZFZNTXIAUNKWJO-SFHVURJKSA-N 0 3 349.952 5.383 50 0 EKAAHN CN(C)CCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347679 563288375 /nfs/dbraw/zinc/28/83/75/563288375.db2.gz ZFZNTXIAUNKWJO-GOSISDBHSA-N 0 3 349.952 5.383 50 0 EKAAHN CN1CCC([C@@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000000347780 563288371 /nfs/dbraw/zinc/28/83/71/563288371.db2.gz KGFKMQPKZITFIV-IBGZPJMESA-N 0 3 345.895 5.267 50 0 EKAAHN CN1CCC([C@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000000347782 563288394 /nfs/dbraw/zinc/28/83/94/563288394.db2.gz KGFKMQPKZITFIV-LJQANCHMSA-N 0 3 345.895 5.267 50 0 EKAAHN Fc1ccc(Nc2c3ccccc3nc3c2CCCC3)cc1Cl ZINC000000429735 563999071 /nfs/dbraw/zinc/99/90/71/563999071.db2.gz KOGABTAOZMLNIH-UHFFFAOYSA-N 0 3 326.802 5.650 50 0 EKAAHN COc1ccc(Cl)cc1Nc1c2ccccc2nc2c1CCCC2 ZINC000000429739 563999092 /nfs/dbraw/zinc/99/90/92/563999092.db2.gz FKTGGJXNNYZJNA-UHFFFAOYSA-N 0 3 338.838 5.519 50 0 EKAAHN CC(C)c1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000000514976 563340000 /nfs/dbraw/zinc/34/00/00/563340000.db2.gz GVISGCHNSPPWHJ-UHFFFAOYSA-N 0 3 336.479 5.048 50 0 EKAAHN CCOc1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000548611 563344515 /nfs/dbraw/zinc/34/45/15/563344515.db2.gz IEQLLFUQVJQXSL-UHFFFAOYSA-N 0 3 326.827 5.647 50 0 EKAAHN c1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1 ZINC000000614863 563357434 /nfs/dbraw/zinc/35/74/34/563357434.db2.gz RMOPCVNTHPNOCX-UHFFFAOYSA-N 0 3 341.458 5.140 50 0 EKAAHN CCn1c2ccccc2c2cc(CN(C)Cc3ccccc3)ccc21 ZINC000001108049 563374922 /nfs/dbraw/zinc/37/49/22/563374922.db2.gz XPEPWIKTPSRGAT-UHFFFAOYSA-N 0 3 328.459 5.446 50 0 EKAAHN CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000001226134 563380416 /nfs/dbraw/zinc/38/04/16/563380416.db2.gz ASXJYXZVDASYGU-UHFFFAOYSA-N 0 3 331.459 5.288 50 0 EKAAHN CCN(Cc1ccccc1)Cc1ccc2c(c1)c1ccccc1n2CC ZINC000001226435 563380395 /nfs/dbraw/zinc/38/03/95/563380395.db2.gz XJJBQWKXDCTENI-UHFFFAOYSA-N 0 3 342.486 5.837 50 0 EKAAHN CCOC1=C(CN2CCCCC2)[C@@H](c2ccccc2)Oc2ccccc21 ZINC000001408488 564065288 /nfs/dbraw/zinc/06/52/88/564065288.db2.gz XQLIBJSUSHCWAW-JOCHJYFZSA-N 0 3 349.474 5.054 50 0 EKAAHN CCOC1=C(CN2CCCCC2)[C@H](c2ccccc2)Oc2ccccc21 ZINC000001408489 209742752 /nfs/dbraw/zinc/74/27/52/209742752.db2.gz XQLIBJSUSHCWAW-QFIPXVFZSA-N 0 3 349.474 5.054 50 0 EKAAHN CC(C)(C)c1cc(C(=O)CCN2CCCCC2)cc(C(C)(C)C)c1O ZINC000001468006 564177326 /nfs/dbraw/zinc/17/73/26/564177326.db2.gz VYALFAJPSBJFCG-UHFFFAOYSA-N 0 3 345.527 5.046 50 0 EKAAHN C[C@H](NCc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000001482795 563391023 /nfs/dbraw/zinc/39/10/23/563391023.db2.gz HVONCPPQPQQFOE-IBGZPJMESA-N 0 3 340.470 5.540 50 0 EKAAHN CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000001487934 563391073 /nfs/dbraw/zinc/39/10/73/563391073.db2.gz JSASWRWALCMOQP-UHFFFAOYSA-N 0 3 331.459 5.323 50 0 aggregator,in-vitro EKAAHN Brc1ccc(C2(N3CCCCC3)CCCCC2)s1 ZINC000001657848 563399942 /nfs/dbraw/zinc/39/99/42/563399942.db2.gz ZJSLJZMJNFSODC-UHFFFAOYSA-N 0 3 328.319 5.156 50 0 EKAAHN c1ccc(CN(CCCOc2ccccc2)Cc2ccccc2)cc1 ZINC000001726981 564076029 /nfs/dbraw/zinc/07/60/29/564076029.db2.gz SGLRHRHESOSRDS-UHFFFAOYSA-N 0 3 331.459 5.158 50 0 EKAAHN C[C@H]1CC(=NC2CCCCC2)Nc2ccccc2N1Cc1ccccc1 ZINC000001863738 564088984 /nfs/dbraw/zinc/08/89/84/564088984.db2.gz GYUWWNGCFSDGRK-SFHVURJKSA-N 0 3 347.506 5.438 50 0 EKAAHN N=C1NC2=C(CCCC2=Cc2ccccc2)[C@H](c2ccccc2)S1 ZINC000001875788 563415183 /nfs/dbraw/zinc/41/51/83/563415183.db2.gz PIPGYAQPEYOBLO-QMEWPPBRSA-N 0 3 332.472 5.311 50 0 EKAAHN N=C1NC2=C(CCCC2=Cc2ccccc2)[C@H](c2ccccc2)S1 ZINC000001875789 564089011 /nfs/dbraw/zinc/08/90/11/564089011.db2.gz PIPGYAQPEYOBLO-PZSQYBTKSA-N 0 3 332.472 5.311 50 0 EKAAHN N=C1NC2=C(CCCC2=Cc2ccccc2)[C@@H](c2ccccc2)S1 ZINC000001875790 563415135 /nfs/dbraw/zinc/41/51/35/563415135.db2.gz PIPGYAQPEYOBLO-BBKFTCMMSA-N 0 3 332.472 5.311 50 0 EKAAHN N=C1NC2=C(CCCC2=Cc2ccccc2)[C@@H](c2ccccc2)S1 ZINC000001875791 564088988 /nfs/dbraw/zinc/08/89/88/564088988.db2.gz PIPGYAQPEYOBLO-NMIWIPSGSA-N 0 3 332.472 5.311 50 0 EKAAHN CN(Cc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002057892 563420382 /nfs/dbraw/zinc/42/03/82/563420382.db2.gz RNXIQKQYYGIDAB-UHFFFAOYSA-N 0 3 339.523 5.619 50 0 EKAAHN Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCC1 ZINC000002177949 563425427 /nfs/dbraw/zinc/42/54/27/563425427.db2.gz KTYYHCBKZZTAOI-UHFFFAOYSA-N 0 3 333.834 5.090 50 0 EKAAHN Clc1ccc2c(c1)C[C@H](N1CCCCCC1)c1ccccc1S2 ZINC000002187342 563426215 /nfs/dbraw/zinc/42/62/15/563426215.db2.gz NZUINDLDOFFABW-SFHVURJKSA-N 0 3 343.923 5.964 50 0 EKAAHN Clc1ccc2c(c1)C[C@@H](N1CCCCCC1)c1ccccc1S2 ZINC000002187343 563426212 /nfs/dbraw/zinc/42/62/12/563426212.db2.gz NZUINDLDOFFABW-GOSISDBHSA-N 0 3 343.923 5.964 50 0 EKAAHN Clc1ccc([C@H](CCNCc2ccco2)Cc2ccccc2)cc1 ZINC000002194713 564120795 /nfs/dbraw/zinc/12/07/95/564120795.db2.gz DNQZBCYGPJQUOJ-LJQANCHMSA-N 0 3 339.866 5.439 50 0 EKAAHN Clc1ccc([C@@H](CCNCc2ccco2)Cc2ccccc2)cc1 ZINC000002194715 564120801 /nfs/dbraw/zinc/12/08/01/564120801.db2.gz DNQZBCYGPJQUOJ-IBGZPJMESA-N 0 3 339.866 5.439 50 0 EKAAHN CC(C)=CCC[C@H](C)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000002494713 563434167 /nfs/dbraw/zinc/43/41/67/563434167.db2.gz HMJREHKHXDHXIL-SFHVURJKSA-N 0 3 334.935 5.235 50 0 EKAAHN CC(C)=CCCCCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000002494813 563434210 /nfs/dbraw/zinc/43/42/10/563434210.db2.gz XDJRUQIBYMTLLT-UHFFFAOYSA-N 0 3 334.935 5.379 50 0 EKAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000002514528 201534376 /nfs/dbraw/zinc/53/43/76/201534376.db2.gz CULQUMAUEZNTJB-UHFFFAOYSA-N 0 3 348.273 5.210 50 0 EKAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514529 563435318 /nfs/dbraw/zinc/43/53/18/563435318.db2.gz GSWFSJKTUCQXDL-UHFFFAOYSA-N 0 3 348.273 5.210 50 0 EKAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514530 563435550 /nfs/dbraw/zinc/43/55/50/563435550.db2.gz PGLQFJRLVCRJLS-UHFFFAOYSA-N 0 3 348.273 5.210 50 0 EKAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002514531 563435556 /nfs/dbraw/zinc/43/55/56/563435556.db2.gz MFTMFKRBKGPUMD-UHFFFAOYSA-N 0 3 348.273 5.210 50 0 EKAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514532 563435654 /nfs/dbraw/zinc/43/56/54/563435654.db2.gz FAYZYKJHWNUSEN-UHFFFAOYSA-N 0 3 348.273 5.210 50 0 EKAAHN CCn1c2ccccc2c2cc(CNCc3ccc(OC)cc3)ccc21 ZINC000002738727 563447688 /nfs/dbraw/zinc/44/76/88/563447688.db2.gz PZCUFYOFOLBPAR-UHFFFAOYSA-N 0 3 344.458 5.113 50 0 EKAAHN CN(CCCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000002823126 564116952 /nfs/dbraw/zinc/11/69/52/564116952.db2.gz SKQCYXHKKAHDSV-UHFFFAOYSA-N 0 3 331.459 5.255 50 0 EKAAHN CC(C)(c1ccccc1)c1ccc(OCCNCc2ccccc2)cc1 ZINC000002823341 564116957 /nfs/dbraw/zinc/11/69/57/564116957.db2.gz ILQPBTUSHBOIBZ-UHFFFAOYSA-N 0 3 345.486 5.181 50 0 EKAAHN CC1(C)Nc2ccccc2-c2c1ss/c2=N\C1CCCCC1 ZINC000002831594 209924831 /nfs/dbraw/zinc/92/48/31/209924831.db2.gz BSXJDEIJBJBKOK-ZPHPHTNESA-N 0 3 330.522 5.371 50 0 EKAAHN c1ccc(-c2ccccc2OCCCN2CCc3ccccc3C2)cc1 ZINC000002845178 563454890 /nfs/dbraw/zinc/45/48/90/563454890.db2.gz JGKQUJXIZOZFKV-UHFFFAOYSA-N 0 3 343.470 5.181 50 0 EKAAHN COc1cc(Cl)cc(CNC(C)(C)CC(C)(C)C)c1OC(C)C ZINC000002884271 563461358 /nfs/dbraw/zinc/46/13/58/563461358.db2.gz XMSBRBRZSSUMQD-UHFFFAOYSA-N 0 3 341.923 5.440 50 0 EKAAHN CCCCN(C)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928710 563463957 /nfs/dbraw/zinc/46/39/57/563463957.db2.gz HHXUUZFNRBCSMV-UHFFFAOYSA-N 0 3 337.463 5.649 50 0 EKAAHN CN1[C@@H](c2ccccc2)CC(O)(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000003082425 563918803 /nfs/dbraw/zinc/91/88/03/563918803.db2.gz MQPSFALRBZMFQW-DHIUTWEWSA-N 0 3 343.470 5.082 50 0 EKAAHN CN1[C@H](c2ccccc2)CC(O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000003082426 563918807 /nfs/dbraw/zinc/91/88/07/563918807.db2.gz MQPSFALRBZMFQW-GOTSBHOMSA-N 0 3 343.470 5.082 50 0 EKAAHN FC(F)(F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000003109306 209965010 /nfs/dbraw/zinc/96/50/10/209965010.db2.gz QRRNVDNMXURPNP-UHFFFAOYSA-N 0 3 333.397 5.160 50 0 EKAAHN O=C(CCCCN1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000003114544 563996240 /nfs/dbraw/zinc/99/62/40/563996240.db2.gz JMISALVCVQUCJS-UHFFFAOYSA-N 0 3 333.475 5.097 50 0 EKAAHN CC1(C)CCC(C)(C)NC(SCc2cccc(C(F)(F)F)c2)=N1 ZINC000003126105 563473343 /nfs/dbraw/zinc/47/33/43/563473343.db2.gz BMABFEPTRMRFED-UHFFFAOYSA-N 0 3 344.446 5.235 50 0 EKAAHN Cc1cc(C)c(CSC2=NCCCN2C2CCCCC2)c(C)c1 ZINC000003126525 563473256 /nfs/dbraw/zinc/47/32/56/563473256.db2.gz MMGANTDXGDSMBH-UHFFFAOYSA-N 0 3 330.541 5.239 50 0 EKAAHN Cc1ccc2nc(-c3ccc(NC4=NCCCCC4)cc3)sc2c1 ZINC000003242387 564058604 /nfs/dbraw/zinc/05/86/04/564058604.db2.gz FTUZOMUPHXLLBY-UHFFFAOYSA-N 0 3 335.476 5.656 50 0 EKAAHN 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330.903 5.435 50 0 EKAAHN Fc1ccc([C@H](CCNCc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000006669746 564095711 /nfs/dbraw/zinc/09/57/11/564095711.db2.gz RIUPZOQWLIFGHD-HXUWFJFHSA-N 0 3 343.829 5.384 50 0 EKAAHN Fc1ccc([C@@H](CCNCc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000006669748 564095729 /nfs/dbraw/zinc/09/57/29/564095729.db2.gz RIUPZOQWLIFGHD-FQEVSTJZSA-N 0 3 343.829 5.384 50 0 EKAAHN CC(C)CC[C@@H](CCN1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000006670226 564095741 /nfs/dbraw/zinc/09/57/41/564095741.db2.gz FCSQRVBHPNDDOS-IBGZPJMESA-N 0 3 341.926 6.266 50 0 EKAAHN CC(C)CC[C@H](CCN1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000006670227 564095739 /nfs/dbraw/zinc/09/57/39/564095739.db2.gz FCSQRVBHPNDDOS-LJQANCHMSA-N 0 3 341.926 6.266 50 0 EKAAHN c1ccc(SCCCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006719043 564096308 /nfs/dbraw/zinc/09/63/08/564096308.db2.gz QIVJJWQDSYMKHS-HXUWFJFHSA-N 0 3 326.509 5.181 50 0 EKAAHN c1ccc(SCCCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000006719044 564096324 /nfs/dbraw/zinc/09/63/24/564096324.db2.gz QIVJJWQDSYMKHS-FQEVSTJZSA-N 0 3 326.509 5.181 50 0 EKAAHN Cn1c2ccccc2c(CNCc2ccccc2)c1-c1cccs1 ZINC000006751679 563585243 /nfs/dbraw/zinc/58/52/43/563585243.db2.gz YALCKMSGLPNUBV-UHFFFAOYSA-N 0 3 332.472 5.197 50 0 EKAAHN CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006781432 563586036 /nfs/dbraw/zinc/58/60/36/563586036.db2.gz DKAMILGFOIRGKI-UHFFFAOYSA-N 0 3 338.278 5.461 50 0 EKAAHN Clc1cccc(C(c2cccc(Cl)c2)=C2CN3CCC2CC3)c1 ZINC000006861983 564100029 /nfs/dbraw/zinc/10/00/29/564100029.db2.gz OALJOVQIPYTWHC-UHFFFAOYSA-N 0 3 344.285 5.521 50 0 EKAAHN CCn1c2ccccc2c2cc(CNCc3ccc(C)cc3)ccc21 ZINC000006871189 564015200 /nfs/dbraw/zinc/01/52/00/564015200.db2.gz ARCHLWXZMMTSRG-UHFFFAOYSA-N 0 3 328.459 5.413 50 0 EKAAHN CCn1c2ccccc2c2cc(CNCc3ccc(F)cc3)ccc21 ZINC000006871194 564090789 /nfs/dbraw/zinc/09/07/89/564090789.db2.gz LPKYYZRTCFMPDD-UHFFFAOYSA-N 0 3 332.422 5.243 50 0 EKAAHN CC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000006882524 564015226 /nfs/dbraw/zinc/01/52/26/564015226.db2.gz CCMBPQFYKIVIJI-UHFFFAOYSA-N 0 3 338.278 5.461 50 0 EKAAHN CC(C)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000006883554 564086106 /nfs/dbraw/zinc/08/61/06/564086106.db2.gz WWOYAMXKROITAQ-UHFFFAOYSA-N 0 3 338.278 5.318 50 0 EKAAHN CC(C)CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006883564 564015221 /nfs/dbraw/zinc/01/52/21/564015221.db2.gz IZEXXBLUEXFFSF-UHFFFAOYSA-N 0 3 338.278 5.318 50 0 EKAAHN CCCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007260994 563597824 /nfs/dbraw/zinc/59/78/24/563597824.db2.gz VTQNAOFUCDBKDR-UHFFFAOYSA-N 0 3 349.877 5.728 50 0 EKAAHN CCCCCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000007260997 563597900 /nfs/dbraw/zinc/59/79/00/563597900.db2.gz XTRZZOXMVCPEAQ-UHFFFAOYSA-N 0 3 331.887 5.589 50 0 EKAAHN CCCCCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007261001 563597867 /nfs/dbraw/zinc/59/78/67/563597867.db2.gz IDWHVPHENWXDJX-UHFFFAOYSA-N 0 3 349.877 5.728 50 0 EKAAHN CCCCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007261048 563598400 /nfs/dbraw/zinc/59/84/00/563598400.db2.gz TWEIGKKEIBPBPD-UHFFFAOYSA-N 0 3 326.267 5.923 50 0 EKAAHN CCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007261049 563598313 /nfs/dbraw/zinc/59/83/13/563598313.db2.gz AXVLNWWQLWDUON-UHFFFAOYSA-N 0 3 326.267 5.923 50 0 EKAAHN CCCCCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000007261052 563598397 /nfs/dbraw/zinc/59/83/97/563598397.db2.gz CHWXHQUDGYZWHL-UHFFFAOYSA-N 0 3 336.273 5.379 50 0 EKAAHN CCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007261059 563598282 /nfs/dbraw/zinc/59/82/82/563598282.db2.gz PFPPHYVZLYSFBY-UHFFFAOYSA-N 0 3 326.267 5.923 50 0 EKAAHN CCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007261077 563598340 /nfs/dbraw/zinc/59/83/40/563598340.db2.gz OGHZTJZSKMIGSJ-UHFFFAOYSA-N 0 3 345.458 5.083 50 0 EKAAHN CCCCCCNCc1cccc(OCC)c1OCc1ccccc1 ZINC000007261080 563598306 /nfs/dbraw/zinc/59/83/06/563598306.db2.gz OYFIIVHVKRGLPB-UHFFFAOYSA-N 0 3 341.495 5.334 50 0 EKAAHN CCCCCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000007261082 563598352 /nfs/dbraw/zinc/59/83/52/563598352.db2.gz MRSFYIBWHQDZCD-UHFFFAOYSA-N 0 3 345.458 5.083 50 0 EKAAHN CCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007261265 563598364 /nfs/dbraw/zinc/59/83/64/563598364.db2.gz IXVJHYLMIIGNSW-UHFFFAOYSA-N 0 3 335.850 5.338 50 0 EKAAHN CCCCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007261272 563598289 /nfs/dbraw/zinc/59/82/89/563598289.db2.gz XBYULQUWIGONDY-UHFFFAOYSA-N 0 3 335.850 5.338 50 0 EKAAHN CCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000007261343 563598385 /nfs/dbraw/zinc/59/83/85/563598385.db2.gz PKTITHSDVNOAJL-UHFFFAOYSA-N 0 3 347.886 5.207 50 0 EKAAHN CCCCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000007261348 563598620 /nfs/dbraw/zinc/59/86/20/563598620.db2.gz JFTVAALAVQGRAN-UHFFFAOYSA-N 0 3 347.886 5.207 50 0 EKAAHN CCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000007261657 563598610 /nfs/dbraw/zinc/59/86/10/563598610.db2.gz RBPYQVDTGHZEKJ-UHFFFAOYSA-N 0 3 338.278 5.462 50 0 EKAAHN CCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000007261664 563598598 /nfs/dbraw/zinc/59/85/98/563598598.db2.gz AGYUPHFKQSJRFR-UHFFFAOYSA-N 0 3 338.278 5.462 50 0 EKAAHN CCOc1c(Cl)cc(Cl)cc1CNC(C)(C)CC(C)(C)C ZINC000007521564 563603902 /nfs/dbraw/zinc/60/39/02/563603902.db2.gz PFJSEFMPFLUJPS-UHFFFAOYSA-N 0 3 332.315 5.697 50 0 EKAAHN Cc1ccc(CNCc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000007537909 563605252 /nfs/dbraw/zinc/60/52/52/563605252.db2.gz ZKPYHFYHJLOLFR-UHFFFAOYSA-N 0 3 335.422 5.003 50 0 EKAAHN Cc1ccc(CNCc2cccc(OCc3ccccc3F)c2)cc1 ZINC000007537915 563605282 /nfs/dbraw/zinc/60/52/82/563605282.db2.gz WZVYBQCVYKMLGZ-UHFFFAOYSA-N 0 3 335.422 5.003 50 0 EKAAHN CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008227222 564016016 /nfs/dbraw/zinc/01/60/16/564016016.db2.gz IWEKDRHRFCHYAW-UHFFFAOYSA-N 0 3 344.669 5.335 50 0 EKAAHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008325927 563626540 /nfs/dbraw/zinc/62/65/40/563626540.db2.gz MVGKFKOUHPCARW-CYBMUJFWSA-N 0 3 338.278 5.461 50 0 EKAAHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008325942 563626531 /nfs/dbraw/zinc/62/65/31/563626531.db2.gz SFWPQEVIBSKKPW-CYBMUJFWSA-N 0 3 338.278 5.461 50 0 EKAAHN CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008326689 563626820 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ZINC000008534254 201752582 /nfs/dbraw/zinc/75/25/82/201752582.db2.gz HNNNTKYRBRTFBM-SFHVURJKSA-N 0 3 347.458 5.125 50 0 EKAAHN C[C@H](NCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000008534269 210961897 /nfs/dbraw/zinc/96/18/97/210961897.db2.gz QNHAMJJIUXRENQ-KRWDZBQOSA-N 0 3 335.422 5.256 50 0 EKAAHN C[C@H](NCc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000008534273 563631897 /nfs/dbraw/zinc/63/18/97/563631897.db2.gz GJNPHBCKDQEVMI-KRWDZBQOSA-N 0 3 335.422 5.256 50 0 EKAAHN C[C@H](NCc1ccccc1OCc1ccccc1F)c1ccccc1 ZINC000008534284 563631875 /nfs/dbraw/zinc/63/18/75/563631875.db2.gz DXJSZAXWPADJGU-KRWDZBQOSA-N 0 3 335.422 5.256 50 0 EKAAHN C[C@]12CC3CC(NCc4c(Cl)cccc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534498 564016327 /nfs/dbraw/zinc/01/63/27/564016327.db2.gz WUTIHQJDZZYXJW-DFDFAMMDSA-N 0 3 338.322 5.832 50 0 EKAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1 ZINC000008535326 563631922 /nfs/dbraw/zinc/63/19/22/563631922.db2.gz HNNNTKYRBRTFBM-GOSISDBHSA-N 0 3 347.458 5.125 50 0 EKAAHN C[C@@H](NCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000008535339 563631904 /nfs/dbraw/zinc/63/19/04/563631904.db2.gz QNHAMJJIUXRENQ-QGZVFWFLSA-N 0 3 335.422 5.256 50 0 EKAAHN C[C@@H](NCc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000008535343 563631935 /nfs/dbraw/zinc/63/19/35/563631935.db2.gz GJNPHBCKDQEVMI-QGZVFWFLSA-N 0 3 335.422 5.256 50 0 EKAAHN C[C@@H](NCc1ccccc1OCc1ccccc1F)c1ccccc1 ZINC000008535354 563631926 /nfs/dbraw/zinc/63/19/26/563631926.db2.gz DXJSZAXWPADJGU-QGZVFWFLSA-N 0 3 335.422 5.256 50 0 EKAAHN Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008571831 210966597 /nfs/dbraw/zinc/96/65/97/210966597.db2.gz LSWXHDYETMSIEK-KRWDZBQOSA-N 0 3 346.474 5.148 50 0 EKAAHN Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCC(C)CC3)c(=O)c2c1 ZINC000008571846 564165749 /nfs/dbraw/zinc/16/57/49/564165749.db2.gz MRMPLSGNGZZRNV-UHFFFAOYSA-N 0 3 346.474 5.148 50 0 EKAAHN Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008571856 564165762 /nfs/dbraw/zinc/16/57/62/564165762.db2.gz 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564174425 /nfs/dbraw/zinc/17/44/25/564174425.db2.gz RKGBFKACRAKZJH-UHFFFAOYSA-N 0 3 331.459 5.288 50 0 EKAAHN CC(C)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010337187 563647715 /nfs/dbraw/zinc/64/77/15/563647715.db2.gz ZSHCGUMRJJHLHU-UHFFFAOYSA-N 0 3 336.479 5.048 50 0 EKAAHN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNC(C)C)cc1 ZINC000010436331 211172463 /nfs/dbraw/zinc/17/24/63/211172463.db2.gz KLHMREVRECFDTR-UHFFFAOYSA-N 0 3 338.278 5.379 50 0 EKAAHN Clc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 ZINC000010436504 211172429 /nfs/dbraw/zinc/17/24/29/211172429.db2.gz XLTTTZKFQPSVCD-UHFFFAOYSA-N 0 3 337.850 5.209 50 0 EKAAHN Clc1cc(CNCc2cccs2)ccc1OCc1ccccc1 ZINC000010474542 211175964 /nfs/dbraw/zinc/17/59/64/211175964.db2.gz KDDMJEWFORIVKP-UHFFFAOYSA-N 0 3 343.879 5.270 50 0 EKAAHN CCCCCNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474805 211175513 /nfs/dbraw/zinc/17/55/13/211175513.db2.gz UJQOBXXOYXIQDZ-UHFFFAOYSA-N 0 3 347.886 5.207 50 0 EKAAHN CCOc1c(CNC(C)(C)CC(C)(C)C)cc(Cl)cc1OC ZINC000010475333 211175943 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213086438 /nfs/dbraw/zinc/08/64/38/213086438.db2.gz ZCIKYJNLZMYMCQ-QHCPKHFHSA-N 0 3 330.475 5.100 50 0 EKAAHN CC(C)c1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000036347925 213086997 /nfs/dbraw/zinc/08/69/97/213086997.db2.gz DGRIESMYEGPKEM-DEOSSOPVSA-N 0 3 344.502 5.607 50 0 EKAAHN CC(C)c1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000036347926 213085994 /nfs/dbraw/zinc/08/59/94/213085994.db2.gz DGRIESMYEGPKEM-XMMPIXPASA-N 0 3 344.502 5.607 50 0 EKAAHN CC(C)c1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2)cc1 ZINC000036348029 202322188 /nfs/dbraw/zinc/32/21/88/202322188.db2.gz MTWSZTPCMQIHGD-XMMPIXPASA-N 0 3 344.502 5.607 50 0 EKAAHN CC(C)c1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2)cc1 ZINC000036348030 213087121 /nfs/dbraw/zinc/08/71/21/213087121.db2.gz MTWSZTPCMQIHGD-DEOSSOPVSA-N 0 3 344.502 5.607 50 0 EKAAHN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2)cc1 ZINC000036348039 213086272 /nfs/dbraw/zinc/08/62/72/213086272.db2.gz HNNKOXLCCDZKLC-XMMPIXPASA-N 0 3 344.502 5.354 50 0 EKAAHN CCc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(C)cc2)cc1 ZINC000036348040 213085866 /nfs/dbraw/zinc/08/58/66/213085866.db2.gz HNNKOXLCCDZKLC-DEOSSOPVSA-N 0 3 344.502 5.354 50 0 EKAAHN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2)cc1 ZINC000036348067 213086377 /nfs/dbraw/zinc/08/63/77/213086377.db2.gz CSCIZPYUCUCFBR-HSZRJFAPSA-N 0 3 330.475 5.046 50 0 EKAAHN CCc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2)cc1 ZINC000036348068 202321203 /nfs/dbraw/zinc/32/12/03/202321203.db2.gz CSCIZPYUCUCFBR-QHCPKHFHSA-N 0 3 330.475 5.046 50 0 EKAAHN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2C)cc1 ZINC000036348077 213085942 /nfs/dbraw/zinc/08/59/42/213085942.db2.gz YOFXZHUADUOEKB-XMMPIXPASA-N 0 3 344.502 5.354 50 0 EKAAHN CCc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2C)cc1 ZINC000036348078 213086150 /nfs/dbraw/zinc/08/61/50/213086150.db2.gz YOFXZHUADUOEKB-DEOSSOPVSA-N 0 3 344.502 5.354 50 0 EKAAHN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(C)c2)cc1 ZINC000036348081 213085148 /nfs/dbraw/zinc/08/51/48/213085148.db2.gz GCWHYSTVWITVJY-XMMPIXPASA-N 0 3 344.502 5.354 50 0 EKAAHN CCc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(C)c2)cc1 ZINC000036348082 202322218 /nfs/dbraw/zinc/32/22/18/202322218.db2.gz GCWHYSTVWITVJY-DEOSSOPVSA-N 0 3 344.502 5.354 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)cc1 ZINC000036348107 213087042 /nfs/dbraw/zinc/08/70/42/213087042.db2.gz QOLGAJRXLTUDKV-DEOSSOPVSA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@H]2c2cc(C)ccc2C)cc1 ZINC000036348108 213085106 /nfs/dbraw/zinc/08/51/06/213085106.db2.gz QOLGAJRXLTUDKV-XMMPIXPASA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348139 213085532 /nfs/dbraw/zinc/08/55/32/213085532.db2.gz QSJLGYUBJDGJRA-DEOSSOPVSA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348140 213085231 /nfs/dbraw/zinc/08/52/31/213085231.db2.gz QSJLGYUBJDGJRA-XMMPIXPASA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2C)c1 ZINC000036348309 213086190 /nfs/dbraw/zinc/08/61/90/213086190.db2.gz VMTPTKMNMACRPK-QHCPKHFHSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@H]2c2ccccc2C)c1 ZINC000036348310 202321520 /nfs/dbraw/zinc/32/15/20/202321520.db2.gz VMTPTKMNMACRPK-HSZRJFAPSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2C)c(C)c1 ZINC000036348311 213085795 /nfs/dbraw/zinc/08/57/95/213085795.db2.gz NLPCKHZPIYOUDK-DEOSSOPVSA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2C)c(C)c1 ZINC000036348312 213086565 /nfs/dbraw/zinc/08/65/65/213086565.db2.gz NLPCKHZPIYOUDK-XMMPIXPASA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348365 213086822 /nfs/dbraw/zinc/08/68/22/213086822.db2.gz DKKKTUZRXZZZTK-QHCPKHFHSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348366 213085091 /nfs/dbraw/zinc/08/50/91/213085091.db2.gz DKKKTUZRXZZZTK-HSZRJFAPSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000036348401 213085016 /nfs/dbraw/zinc/08/50/16/213085016.db2.gz VCPCOHFVCRVIJW-QHCPKHFHSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000036348402 213085516 /nfs/dbraw/zinc/08/55/16/213085516.db2.gz VCPCOHFVCRVIJW-HSZRJFAPSA-N 0 3 330.475 5.100 50 0 EKAAHN c1ccc(Oc2ccc(-c3cncc(CN4CCCCC4)c3)cc2)cc1 ZINC000037279057 202339295 /nfs/dbraw/zinc/33/92/95/202339295.db2.gz WCQSASWPAPFKBF-UHFFFAOYSA-N 0 3 344.458 5.527 50 0 EKAAHN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2c(C)cccc2C)cc1 ZINC000037522221 213152948 /nfs/dbraw/zinc/15/29/48/213152948.db2.gz MIJVFIGKYBYHQK-XMMPIXPASA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1ccc([C@H]2c3cccn3CCCN2Cc2c(C)cccc2C)cc1 ZINC000037522222 213153233 /nfs/dbraw/zinc/15/32/33/213153233.db2.gz MIJVFIGKYBYHQK-DEOSSOPVSA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c1 ZINC000037522283 213152791 /nfs/dbraw/zinc/15/27/91/213152791.db2.gz HQTFDLWFVWKZOX-DEOSSOPVSA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1 ZINC000037522284 213153490 /nfs/dbraw/zinc/15/34/90/213153490.db2.gz HQTFDLWFVWKZOX-XMMPIXPASA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1cc(C)cc(CN2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000037522389 213153549 /nfs/dbraw/zinc/15/35/49/213153549.db2.gz XHOADLLXBRMAEW-QHCPKHFHSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1cc(C)cc(CN2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000037522390 213153304 /nfs/dbraw/zinc/15/33/04/213153304.db2.gz XHOADLLXBRMAEW-HSZRJFAPSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2cc(C)cc(C)c2)cc1 ZINC000037522407 213152711 /nfs/dbraw/zinc/15/27/11/213152711.db2.gz FPACLVOCYSDCTH-XMMPIXPASA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1ccc([C@H]2c3cccn3CCCN2Cc2cc(C)cc(C)c2)cc1 ZINC000037522408 213153593 /nfs/dbraw/zinc/15/35/93/213153593.db2.gz FPACLVOCYSDCTH-DEOSSOPVSA-N 0 3 344.502 5.409 50 0 EKAAHN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2cccs2)cc1C ZINC000037523149 213153153 /nfs/dbraw/zinc/15/31/53/213153153.db2.gz LRANWTBVCSXSNB-OAQYLSRUSA-N 0 3 336.504 5.162 50 0 EKAAHN Cc1ccc([C@H]2c3cccn3CCCN2Cc2cccs2)cc1C ZINC000037523150 213153320 /nfs/dbraw/zinc/15/33/20/213153320.db2.gz LRANWTBVCSXSNB-NRFANRHFSA-N 0 3 336.504 5.162 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)cc1C ZINC000037523341 213153290 /nfs/dbraw/zinc/15/32/90/213153290.db2.gz WHAVLPUXHWROCY-QHCPKHFHSA-N 0 3 330.475 5.100 50 0 EKAAHN Cc1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2)cc1C ZINC000037523342 213153211 /nfs/dbraw/zinc/15/32/11/213153211.db2.gz WHAVLPUXHWROCY-HSZRJFAPSA-N 0 3 330.475 5.100 50 0 EKAAHN C[C@@H]1CCCCN1Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553829 213155849 /nfs/dbraw/zinc/15/58/49/213155849.db2.gz BGLLQQHSGNMSHG-CQSZACIVSA-N 0 3 334.385 5.142 50 0 EKAAHN C[C@H]1CCCCN1Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553830 202347253 /nfs/dbraw/zinc/34/72/53/202347253.db2.gz BGLLQQHSGNMSHG-AWEZNQCLSA-N 0 3 334.385 5.142 50 0 EKAAHN C[C@@H]1CCCCN1Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553848 202347151 /nfs/dbraw/zinc/34/71/51/202347151.db2.gz RCROLXSPJYSXTB-LJQANCHMSA-N 0 3 342.486 5.790 50 0 EKAAHN C[C@H]1CCCCN1Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553849 213157150 /nfs/dbraw/zinc/15/71/50/213157150.db2.gz RCROLXSPJYSXTB-IBGZPJMESA-N 0 3 342.486 5.790 50 0 EKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000038787597 564165751 /nfs/dbraw/zinc/16/57/51/564165751.db2.gz POLWYDAZFUFJCU-KRWDZBQOSA-N 0 3 338.495 5.223 50 0 EKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccccc1 ZINC000038787599 213225532 /nfs/dbraw/zinc/22/55/32/213225532.db2.gz POLWYDAZFUFJCU-QGZVFWFLSA-N 0 3 338.495 5.223 50 0 EKAAHN c1csc(CNCc2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000039979583 563922731 /nfs/dbraw/zinc/92/27/31/563922731.db2.gz WSGJNFORBUECHC-UHFFFAOYSA-N 0 3 332.472 5.041 50 0 EKAAHN FC(F)(F)c1cccc(-c2ccc(CNCCc3ccccc3)o2)c1 ZINC000040721259 213375449 /nfs/dbraw/zinc/37/54/49/213375449.db2.gz UQIUKWMUEDMSAO-UHFFFAOYSA-N 0 3 345.364 5.298 50 0 EKAAHN CCCCCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721284 563923360 /nfs/dbraw/zinc/92/33/60/563923360.db2.gz VNRCBZISMYIUEB-UHFFFAOYSA-N 0 3 325.374 5.635 50 0 EKAAHN CCCOc1c(Cl)cc(Cl)cc1CNCCC1=CCCCC1 ZINC000040722085 213374981 /nfs/dbraw/zinc/37/49/81/213374981.db2.gz IGOFJHWOPLEZSA-UHFFFAOYSA-N 0 3 342.310 5.762 50 0 EKAAHN CCCOc1c(CNC(C)(C)CC(C)(C)C)cc(Cl)cc1OC ZINC000040722207 213374672 /nfs/dbraw/zinc/37/46/72/213374672.db2.gz CCGYAJBABFJSGN-UHFFFAOYSA-N 0 3 341.923 5.442 50 0 EKAAHN CCCOc1c(CNCCC2=CCCCC2)cc(Cl)cc1OC ZINC000040722224 213374619 /nfs/dbraw/zinc/37/46/19/213374619.db2.gz AGDGXTNJLGJEHV-UHFFFAOYSA-N 0 3 337.891 5.118 50 0 EKAAHN CCCCCCNCc1cccc(OC)c1OCc1cccc(C)c1 ZINC000040722253 213376609 /nfs/dbraw/zinc/37/66/09/213376609.db2.gz MASJJTDVDCBADF-UHFFFAOYSA-N 0 3 341.495 5.253 50 0 EKAAHN CCCCCCNCc1cccc(OC)c1OCc1ccccc1C ZINC000040722313 213375912 /nfs/dbraw/zinc/37/59/12/213375912.db2.gz LRRDVSSSEKFWPZ-UHFFFAOYSA-N 0 3 341.495 5.253 50 0 EKAAHN CCCCCNCc1cccc(OC)c1OCc1cccc(Cl)c1 ZINC000040722572 213376382 /nfs/dbraw/zinc/37/63/82/213376382.db2.gz LFGGCEAROFZTJT-UHFFFAOYSA-N 0 3 347.886 5.207 50 0 EKAAHN COc1cccc(CNCCC(C)C)c1OCc1cccc(Cl)c1 ZINC000040722609 563923375 /nfs/dbraw/zinc/92/33/75/563923375.db2.gz HVVXYCFLHFMOPI-UHFFFAOYSA-N 0 3 347.886 5.063 50 0 EKAAHN Cc1cccc(COc2ccc(CN[C@@H](C)c3ccccc3)cc2)c1 ZINC000040722621 213376445 /nfs/dbraw/zinc/37/64/45/213376445.db2.gz KJBOENGPKGLDQO-IBGZPJMESA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1cccc(COc2ccc(CN[C@H](C)c3ccccc3)cc2)c1 ZINC000040722622 213376647 /nfs/dbraw/zinc/37/66/47/213376647.db2.gz KJBOENGPKGLDQO-LJQANCHMSA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1cccc(COc2ccc(CNCc3ccc(F)cc3)cc2)c1 ZINC000040722643 213375715 /nfs/dbraw/zinc/37/57/15/213375715.db2.gz JPBCTTHDTHSKBI-UHFFFAOYSA-N 0 3 335.422 5.003 50 0 EKAAHN Cc1ccc(CNCc2ccc(OCc3cccc(C)c3)cc2)cc1 ZINC000040722652 213375782 /nfs/dbraw/zinc/37/57/82/213375782.db2.gz KDRCRNFOEUFCGQ-UHFFFAOYSA-N 0 3 331.459 5.172 50 0 EKAAHN Cc1ccccc1COc1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000040722678 213376614 /nfs/dbraw/zinc/37/66/14/213376614.db2.gz HWNCKPKOLRYZJO-IBGZPJMESA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1ccccc1COc1ccc(CN[C@H](C)c2ccccc2)cc1 ZINC000040722679 563923442 /nfs/dbraw/zinc/92/34/42/563923442.db2.gz HWNCKPKOLRYZJO-LJQANCHMSA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1ccccc1COc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000040722700 213376327 /nfs/dbraw/zinc/37/63/27/213376327.db2.gz LKFNITKGMBMVID-UHFFFAOYSA-N 0 3 335.422 5.003 50 0 EKAAHN Cc1ccc(CNCc2ccc(OCc3ccccc3C)cc2)cc1 ZINC000040722709 213376801 /nfs/dbraw/zinc/37/68/01/213376801.db2.gz LKKAQUJIUYIZTE-UHFFFAOYSA-N 0 3 331.459 5.172 50 0 EKAAHN Clc1cccc(COc2ccc(CNCc3ccccc3)cc2)c1 ZINC000040728077 563923452 /nfs/dbraw/zinc/92/34/52/563923452.db2.gz NJRMIKBTODPRLJ-UHFFFAOYSA-N 0 3 337.850 5.209 50 0 EKAAHN Clc1cccc(COc2ccc(CNCc3cccs3)cc2)c1 ZINC000040728126 213376672 /nfs/dbraw/zinc/37/66/72/213376672.db2.gz OMGWFGRUHRMKKK-UHFFFAOYSA-N 0 3 343.879 5.270 50 0 EKAAHN COc1cc(Cl)cc(CNCCC2=CCCCC2)c1OC(C)C ZINC000040728419 563923466 /nfs/dbraw/zinc/92/34/66/563923466.db2.gz AZZHOGCRLOWPTR-UHFFFAOYSA-N 0 3 337.891 5.116 50 0 EKAAHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OC(C)C ZINC000040729179 213377177 /nfs/dbraw/zinc/37/71/77/213377177.db2.gz CMZWKMHRYIXIGX-HNNXBMFYSA-N 0 3 347.886 5.377 50 0 EKAAHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OC(C)C ZINC000040729182 213378126 /nfs/dbraw/zinc/37/81/26/213378126.db2.gz CMZWKMHRYIXIGX-OAHLLOKOSA-N 0 3 347.886 5.377 50 0 EKAAHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OC(C)C ZINC000040729277 213377905 /nfs/dbraw/zinc/37/79/05/213377905.db2.gz DGUFKOITJSLRPE-UHFFFAOYSA-N 0 3 347.886 5.124 50 0 EKAAHN CC(C)Oc1c(Cl)cc(Cl)cc1CNCCc1ccccc1 ZINC000040729782 213377027 /nfs/dbraw/zinc/37/70/27/213377027.db2.gz LSQXTPDOKCTKQR-UHFFFAOYSA-N 0 3 338.278 5.113 50 0 EKAAHN CC(C)Oc1c(Cl)cc(Cl)cc1CNC(C)(C)CC(C)(C)C ZINC000040729860 563923544 /nfs/dbraw/zinc/92/35/44/563923544.db2.gz GHUJDOVBASJUBT-UHFFFAOYSA-N 0 3 346.342 6.085 50 0 EKAAHN CCCCOCCCNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729887 213377596 /nfs/dbraw/zinc/37/75/96/213377596.db2.gz MSDNXWIURRZHQL-UHFFFAOYSA-N 0 3 348.314 5.077 50 0 EKAAHN CC(C)Oc1c(Cl)cc(Cl)cc1CNCCC1=CCCCC1 ZINC000040729903 213377828 /nfs/dbraw/zinc/37/78/28/213377828.db2.gz CGZYSWRJLNQAHO-UHFFFAOYSA-N 0 3 342.310 5.761 50 0 EKAAHN CC(C)Oc1ccc(Cl)cc1CNCCc1ccc(Cl)cc1 ZINC000040730423 213377458 /nfs/dbraw/zinc/37/74/58/213377458.db2.gz WNJMCPORYNSHJV-UHFFFAOYSA-N 0 3 338.278 5.113 50 0 EKAAHN CC(C)Oc1ccc(Cl)cc1CN[C@@H](C)CCc1ccccc1 ZINC000040730442 213377268 /nfs/dbraw/zinc/37/72/68/213377268.db2.gz FJVYPMBARFPZCK-INIZCTEOSA-N 0 3 331.887 5.238 50 0 EKAAHN CC(C)Oc1ccc(Cl)cc1CN[C@H](C)CCc1ccccc1 ZINC000040730445 213377329 /nfs/dbraw/zinc/37/73/29/213377329.db2.gz FJVYPMBARFPZCK-MRXNPFEDSA-N 0 3 331.887 5.238 50 0 EKAAHN CC(C)Oc1c(Cl)cc(CN[C@@H](C)c2ccccc2)cc1Cl ZINC000040730652 563923562 /nfs/dbraw/zinc/92/35/62/563923562.db2.gz VONZJKFJUJNXFP-ZDUSSCGKSA-N 0 3 338.278 5.631 50 0 EKAAHN CC(C)Oc1c(Cl)cc(CN[C@H](C)c2ccccc2)cc1Cl ZINC000040730655 213377786 /nfs/dbraw/zinc/37/77/86/213377786.db2.gz VONZJKFJUJNXFP-CYBMUJFWSA-N 0 3 338.278 5.631 50 0 EKAAHN CC(C)Oc1c(Cl)cc(CNCc2cccs2)cc1Cl ZINC000040730685 563923547 /nfs/dbraw/zinc/92/35/47/563923547.db2.gz LDKIQCIBEKVUAN-UHFFFAOYSA-N 0 3 330.280 5.132 50 0 EKAAHN Cc1ccc(CNCc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 ZINC000040730754 213377797 /nfs/dbraw/zinc/37/77/97/213377797.db2.gz RBGAOPKPELYYEN-UHFFFAOYSA-N 0 3 338.278 5.379 50 0 EKAAHN CC(C)Oc1ccc(CN[C@@H](C)c2ccccc2)cc1Br ZINC000040730838 213377884 /nfs/dbraw/zinc/37/78/84/213377884.db2.gz BEUJKKHKHNPVLR-AWEZNQCLSA-N 0 3 348.284 5.087 50 0 EKAAHN CC(C)Oc1ccc(CN[C@H](C)c2ccccc2)cc1Br ZINC000040730841 213377053 /nfs/dbraw/zinc/37/70/53/213377053.db2.gz BEUJKKHKHNPVLR-CQSZACIVSA-N 0 3 348.284 5.087 50 0 EKAAHN CC(C)Oc1ccccc1CNCCc1ccc(Cl)cc1Cl ZINC000040731296 213378036 /nfs/dbraw/zinc/37/80/36/213378036.db2.gz YNQCSLBIXMRVJG-UHFFFAOYSA-N 0 3 338.278 5.113 50 0 EKAAHN Cc1cccc(COc2ccccc2CN[C@@H](C)c2ccccc2)c1 ZINC000040731375 213377165 /nfs/dbraw/zinc/37/71/65/213377165.db2.gz BWOAYABBHITUSV-IBGZPJMESA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1cccc(COc2ccccc2CN[C@H](C)c2ccccc2)c1 ZINC000040731378 213377717 /nfs/dbraw/zinc/37/77/17/213377717.db2.gz BWOAYABBHITUSV-LJQANCHMSA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1cccc(COc2ccccc2CNCCc2ccccc2F)c1 ZINC000040731432 213377416 /nfs/dbraw/zinc/37/74/16/213377416.db2.gz UWXUNRLPQPTZHS-UHFFFAOYSA-N 0 3 349.449 5.045 50 0 EKAAHN Cc1cccc(COc2ccccc2CNCCc2ccc(F)cc2)c1 ZINC000040731435 213377146 /nfs/dbraw/zinc/37/71/46/213377146.db2.gz CMBVPXVEHPKFHP-UHFFFAOYSA-N 0 3 349.449 5.045 50 0 EKAAHN Cc1cccc(COc2ccccc2CNCCC2=CCCCC2)c1 ZINC000040731516 563923537 /nfs/dbraw/zinc/92/35/37/563923537.db2.gz PAJRTOAHSPUREA-UHFFFAOYSA-N 0 3 335.491 5.554 50 0 EKAAHN Cc1ccccc1COc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000040731558 213377252 /nfs/dbraw/zinc/37/72/52/213377252.db2.gz BYYRBZCHTKAQDC-IBGZPJMESA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1ccccc1COc1ccccc1CN[C@H](C)c1ccccc1 ZINC000040731561 563923671 /nfs/dbraw/zinc/92/36/71/563923671.db2.gz BYYRBZCHTKAQDC-LJQANCHMSA-N 0 3 331.459 5.425 50 0 EKAAHN 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Cc1cccc(COc2cccc(CNCc3ccc(F)cc3)c2)c1 ZINC000040738133 213379273 /nfs/dbraw/zinc/37/92/73/213379273.db2.gz YKPFEHHRQIYOHK-UHFFFAOYSA-N 0 3 335.422 5.003 50 0 EKAAHN Cc1ccc(CNCc2cccc(OCc3cccc(C)c3)c2)cc1 ZINC000040738159 213378619 /nfs/dbraw/zinc/37/86/19/213378619.db2.gz KJBGSNFLSHXQRV-UHFFFAOYSA-N 0 3 331.459 5.172 50 0 EKAAHN Cc1ccccc1COc1cccc(CN[C@@H](C)c2ccccc2)c1 ZINC000040738247 213379180 /nfs/dbraw/zinc/37/91/80/213379180.db2.gz RNEWNBNVGMXLOZ-IBGZPJMESA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1ccccc1COc1cccc(CN[C@H](C)c2ccccc2)c1 ZINC000040738250 213379351 /nfs/dbraw/zinc/37/93/51/213379351.db2.gz RNEWNBNVGMXLOZ-LJQANCHMSA-N 0 3 331.459 5.425 50 0 EKAAHN Cc1ccccc1COc1cccc(CNCc2ccc(F)cc2)c1 ZINC000040738312 213379576 /nfs/dbraw/zinc/37/95/76/213379576.db2.gz XWYFWFPJPQZNNU-UHFFFAOYSA-N 0 3 335.422 5.003 50 0 EKAAHN Cc1ccc(CNCc2cccc(OCc3ccccc3C)c2)cc1 ZINC000040738337 563923817 /nfs/dbraw/zinc/92/38/17/563923817.db2.gz XWZXPSNAHXNVCO-UHFFFAOYSA-N 0 3 331.459 5.172 50 0 EKAAHN Clc1cccc(COc2cccc(CNCc3ccccc3)c2)c1 ZINC000040738927 213379701 /nfs/dbraw/zinc/37/97/01/213379701.db2.gz CQVLCBDTQFAFRA-UHFFFAOYSA-N 0 3 337.850 5.209 50 0 EKAAHN Clc1cccc(COc2cccc(CNCc3cccs3)c2)c1 ZINC000040738961 213380490 /nfs/dbraw/zinc/38/04/90/213380490.db2.gz UNDBSVFDJMPWGD-UHFFFAOYSA-N 0 3 343.879 5.270 50 0 EKAAHN Cc1cccc(COc2ccc(Cl)cc2CNC2CCCC2)c1 ZINC000040742901 213380534 /nfs/dbraw/zinc/38/05/34/213380534.db2.gz RMMHKHUPFQCJGF-UHFFFAOYSA-N 0 3 329.871 5.260 50 0 EKAAHN CCCCCNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040742912 563923799 /nfs/dbraw/zinc/92/37/99/563923799.db2.gz NXKMWXAKVRBETJ-UHFFFAOYSA-N 0 3 331.887 5.507 50 0 EKAAHN CCCCCCNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040742913 563923801 /nfs/dbraw/zinc/92/38/01/563923801.db2.gz HDIKUVBDEHCVCA-UHFFFAOYSA-N 0 3 345.914 5.897 50 0 EKAAHN Cc1cccc(COc2ccc(Cl)cc2CNCCC(C)C)c1 ZINC000040742950 213380386 /nfs/dbraw/zinc/38/03/86/213380386.db2.gz FBVKWMROGIWLPF-UHFFFAOYSA-N 0 3 331.887 5.363 50 0 EKAAHN CCC(C)(C)NCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040742951 213381062 /nfs/dbraw/zinc/38/10/62/213381062.db2.gz VFAKRDOBCPKABN-UHFFFAOYSA-N 0 3 331.887 5.506 50 0 EKAAHN Cc1ccccc1COc1ccc(Cl)cc1CNC1CCCC1 ZINC000040742966 213380097 /nfs/dbraw/zinc/38/00/97/213380097.db2.gz CGFCSNCORXPKKH-UHFFFAOYSA-N 0 3 329.871 5.260 50 0 EKAAHN CCCCCNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000040742977 213379940 /nfs/dbraw/zinc/37/99/40/213379940.db2.gz ULDKKRCYBIKJBC-UHFFFAOYSA-N 0 3 331.887 5.507 50 0 EKAAHN CCCCCCNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000040742978 213380752 /nfs/dbraw/zinc/38/07/52/213380752.db2.gz YWEMESHORLTQNS-UHFFFAOYSA-N 0 3 345.914 5.897 50 0 EKAAHN Cc1ccccc1COc1ccc(Cl)cc1CNCCC(C)C ZINC000040743040 213380933 /nfs/dbraw/zinc/38/09/33/213380933.db2.gz YBCAFEXSOIYFAZ-UHFFFAOYSA-N 0 3 331.887 5.363 50 0 EKAAHN CCC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1C ZINC000040743042 563923813 /nfs/dbraw/zinc/92/38/13/563923813.db2.gz CUYPSEXTZMJRTH-UHFFFAOYSA-N 0 3 331.887 5.506 50 0 EKAAHN CCNCc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 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/nfs/dbraw/zinc/37/97/15/213379715.db2.gz XFCYTBFORHAXML-UHFFFAOYSA-N 0 3 338.278 5.461 50 0 EKAAHN CCCCNCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743505 213380873 /nfs/dbraw/zinc/38/08/73/213380873.db2.gz LMQULEUNJSBESD-UHFFFAOYSA-N 0 3 338.278 5.462 50 0 EKAAHN CC(C)CNCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743520 213380501 /nfs/dbraw/zinc/38/05/01/213380501.db2.gz BTKKUFIAAREXRP-UHFFFAOYSA-N 0 3 338.278 5.318 50 0 EKAAHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743521 213379693 /nfs/dbraw/zinc/37/96/93/213379693.db2.gz GBWYQKXLVIDOLW-CYBMUJFWSA-N 0 3 338.278 5.461 50 0 EKAAHN CC[C@H](C)NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743522 213380732 /nfs/dbraw/zinc/38/07/32/213380732.db2.gz GBWYQKXLVIDOLW-ZDUSSCGKSA-N 0 3 338.278 5.461 50 0 EKAAHN c1csc(-c2nc(CN3CCC[C@H]3CCc3ccccc3)co2)c1 ZINC000048303676 564030719 /nfs/dbraw/zinc/03/07/19/564030719.db2.gz NEDVEHXSCZROHQ-SFHVURJKSA-N 0 3 338.476 5.000 50 0 EKAAHN c1csc(-c2nc(CN3CCC[C@@H]3CCc3ccccc3)co2)c1 ZINC000048303678 564030725 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