smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000096997162 185395665 /nfs/dbraw/zinc/39/56/65/185395665.db2.gz RFAVTWCEQIJAOW-IBGZPJMESA-N 0 1 307.441 4.667 50 0 DJAAMN CC(C)n1cc([C@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423505 185361127 /nfs/dbraw/zinc/36/11/27/185361127.db2.gz OJHHHJACNCQITD-SGTLLEGYSA-N 0 1 319.399 4.544 50 0 DJAAMN CCSc1ccc([C@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000097016779 185397587 /nfs/dbraw/zinc/39/75/87/185397587.db2.gz DMXLWUAZHUNNIX-STQMWFEESA-N 0 1 315.486 4.617 50 0 DJAAMN Cc1cccc2nc(-c3cn(C)nc3-c3cccc(Cl)c3)[nH]c21 ZINC000072434480 191166799 /nfs/dbraw/zinc/16/67/99/191166799.db2.gz RXLSZAGNZJFQCX-UHFFFAOYSA-N 0 1 322.799 4.592 50 0 DJAAMN C[C@@H]1CCc2nc(Nc3nc4c(cccc4F)s3)sc2C1 ZINC000004137665 181077872 /nfs/dbraw/zinc/07/78/72/181077872.db2.gz TUFJCCSQIBOOBM-MRVPVSSYSA-N 0 1 319.430 4.760 50 0 DJAAMN Cc1ccc(C)c(CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000004879336 181168075 /nfs/dbraw/zinc/16/80/75/181168075.db2.gz VFSLDOKVUUGKRL-UHFFFAOYSA-N 0 1 313.401 4.520 50 0 DJAAMN CC(C)(C)c1cc(CN2CCSCC2)cc(C(C)(C)C)c1O ZINC000005284261 181226407 /nfs/dbraw/zinc/22/64/07/181226407.db2.gz IJOMJNCIGIMQFL-UHFFFAOYSA-N 0 1 321.530 4.536 50 0 DJAAMN Cc1ccc(-c2n[nH]c(SC/C=C/c3ccccc3)n2)cc1 ZINC000005867997 181291747 /nfs/dbraw/zinc/29/17/47/181291747.db2.gz NFRRQIQXPCMAIW-VMPITWQZSA-N 0 1 307.422 4.586 50 0 DJAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1Cl ZINC000006178873 181317665 /nfs/dbraw/zinc/31/76/65/181317665.db2.gz SAVWNGQIUQFXJP-NSHDSACASA-N 0 1 315.829 4.978 50 0 DJAAMN Cc1ccc([C@@H]2C[C@@H]2c2n[nH]c(=S)n2-c2cccc(C)c2)cc1 ZINC000006267125 181324376 /nfs/dbraw/zinc/32/43/76/181324376.db2.gz VEORGKHHPILGTA-IRXDYDNUSA-N 0 1 321.449 4.818 50 0 DJAAMN Cc1cccc(CNc2ncc(-c3cccc(Cl)c3)n2C)c1 ZINC000006607634 181360849 /nfs/dbraw/zinc/36/08/49/181360849.db2.gz GMEKBQNQWFXQBI-UHFFFAOYSA-N 0 1 311.816 4.661 50 0 DJAAMN Cc1ccccc1-n1c(=S)[nH]nc1[C@@H]1C[C@@H]1c1ccccc1 ZINC000016038779 182030323 /nfs/dbraw/zinc/03/03/23/182030323.db2.gz BALZDSMVKZGXHP-HUUCEWRRSA-N 0 1 307.422 4.509 50 0 DJAAMN CCN(CC)c1ccc(NCCOc2ccc(C)c(C)c2)cc1 ZINC000019738574 182141394 /nfs/dbraw/zinc/14/13/94/182141394.db2.gz JKCNBBYLQFHJIK-UHFFFAOYSA-N 0 1 312.457 4.641 50 0 DJAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccccc1Cl ZINC000021720984 182286475 /nfs/dbraw/zinc/28/64/75/182286475.db2.gz AJPLNYVDTAHJJP-HNNXBMFYSA-N 0 1 304.821 4.536 50 0 DJAAMN CCc1nc(CSc2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000021864801 182294912 /nfs/dbraw/zinc/29/49/12/182294912.db2.gz MIMILWXCGLURKA-UHFFFAOYSA-N 0 1 309.847 4.528 50 0 DJAAMN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000021720974 182286742 /nfs/dbraw/zinc/28/67/42/182286742.db2.gz WQFILYHPRQVSNA-OAHLLOKOSA-N 0 1 304.821 4.536 50 0 DJAAMN Clc1ccc2nc(-c3ccc(Br)cc3)[nH]c2c1 ZINC000022115733 182309076 /nfs/dbraw/zinc/30/90/76/182309076.db2.gz QSYQOYUPULGRTL-UHFFFAOYSA-N 0 1 307.578 4.646 50 0 DJAAMN C[C@@H](C(=O)c1c[nH]c2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000058160439 184082165 /nfs/dbraw/zinc/08/21/65/184082165.db2.gz JEFSJEFTKOZECG-SUMWQHHRSA-N 0 1 324.449 4.638 50 0 DJAAMN Clc1ccc2c(c1)C(Cl)=C(CN1CCCCC1)CS2 ZINC000063608836 184285839 /nfs/dbraw/zinc/28/58/39/184285839.db2.gz SRSYIBIWBLMZKN-UHFFFAOYSA-N 0 1 314.281 4.882 50 0 DJAAMN C[C@@H](c1ccc(-c2cc(F)ccc2Cl)cc1)N1CCOCC1 ZINC000426697549 257244223 /nfs/dbraw/zinc/24/42/23/257244223.db2.gz NVSLVZPCZFRQNO-ZDUSSCGKSA-N 0 1 319.807 4.539 50 0 DJAAMN CC[C@@H](c1cccc(OC)c1)N(C)Cc1oc(C(C)C)nc1C ZINC000428950591 338066253 /nfs/dbraw/zinc/06/62/53/338066253.db2.gz FSHXEKKLJUUORW-KRWDZBQOSA-N 0 1 316.445 4.698 50 0 DJAAMN COc1ccc2c(c1)CN(C)C[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000029230278 563433599 /nfs/dbraw/zinc/43/35/99/563433599.db2.gz ZJDCGVDEEHWEIG-HNNXBMFYSA-N 0 1 322.235 4.579 50 0 in-man DJAAMN Cc1c2ccc(O)cc2oc(=O)c1-c1ccc(Cl)cc1Cl ZINC000000057997 563212238 /nfs/dbraw/zinc/21/22/38/563212238.db2.gz CYVRVLQZKWRLMB-UHFFFAOYSA-N 0 1 321.159 4.781 50 0 DJAAMN Cc1cccc(C)c1C(=O)c1ccccc1CN1CCCCC1 ZINC000002515511 563306241 /nfs/dbraw/zinc/30/62/41/563306241.db2.gz CURHQLNSGHLEKH-UHFFFAOYSA-N 0 1 307.437 4.520 50 0 DJAAMN O=C(c1cccc(Cl)c1)c1ccccc1CN1CCCCC1 ZINC000002515504 563306312 /nfs/dbraw/zinc/30/63/12/563306312.db2.gz MAHFKHLTIYIZHX-UHFFFAOYSA-N 0 1 313.828 4.557 50 0 DJAAMN CCC(CC)C(=O)Nc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000002881482 563316930 /nfs/dbraw/zinc/31/69/30/563316930.db2.gz PQGFGQVEHDLMTM-UHFFFAOYSA-N 0 1 321.424 4.913 50 0 DJAAMN COc1cccc2cc(CN[C@H](C)c3ccc(F)c(F)c3)oc21 ZINC000032740418 563388643 /nfs/dbraw/zinc/38/86/43/563388643.db2.gz PYEGTUXAXNELGX-LLVKDONJSA-N 0 1 317.335 4.570 50 0 DJAAMN CCCCOc1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000002907788 563449570 /nfs/dbraw/zinc/44/95/70/563449570.db2.gz AMMZQPZCGAOENQ-OAQYLSRUSA-N 0 1 324.468 4.988 50 0 DJAAMN CCOc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511300 563453473 /nfs/dbraw/zinc/45/34/73/563453473.db2.gz ADEVYAZOQULSKU-SFHVURJKSA-N 0 1 314.429 4.534 50 0 DJAAMN CC(C)c1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 ZINC000055142297 563471865 /nfs/dbraw/zinc/47/18/65/563471865.db2.gz DBACTWQDWZOLJN-NRFANRHFSA-N 0 1 302.421 4.793 50 0 DJAAMN Clc1ccc2nc(-c3cccc(Br)c3)[nH]c2c1 ZINC000070238366 563497923 /nfs/dbraw/zinc/49/79/23/563497923.db2.gz NFSGFPCXDHZFDP-UHFFFAOYSA-N 0 1 307.578 4.646 50 0 DJAAMN CCC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000084740773 563830750 /nfs/dbraw/zinc/83/07/50/563830750.db2.gz SXSWLKUQIYJNSH-KBPBESRZSA-N 0 1 319.474 4.761 50 0 DJAAMN Clc1ccc([C@@H](NCc2cc[nH]c2)c2cccs2)cc1 ZINC000086251173 563845110 /nfs/dbraw/zinc/84/51/10/563845110.db2.gz IYXRDROEUPLFEY-MRXNPFEDSA-N 0 1 302.830 4.609 50 0 DJAAMN Cc1cc([C@H](NCc2nc(C)c(C)s2)C(C)C)c(C)s1 ZINC000091731442 563879085 /nfs/dbraw/zinc/87/90/85/563879085.db2.gz FAKVPWRRRKVPST-MRXNPFEDSA-N 0 1 308.516 4.925 50 0 DJAAMN C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000036389919 563897949 /nfs/dbraw/zinc/89/79/49/563897949.db2.gz PZMKRRTWCFWTMK-ZBFHGGJFSA-N 0 1 324.399 4.908 50 0 DJAAMN CCCCOc1cccc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC000002119141 563914594 /nfs/dbraw/zinc/91/45/94/563914594.db2.gz BRUBSSKMCMFYCC-NRFANRHFSA-N 0 1 324.468 4.988 50 0 biogenic DJAAMN CCC[C@@H](N[C@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967625 563932996 /nfs/dbraw/zinc/93/29/96/563932996.db2.gz HKKOZOWBWMGYMS-IUODEOHRSA-N 0 1 323.362 4.687 50 0 DJAAMN Cc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000008268525 563947487 /nfs/dbraw/zinc/94/74/87/563947487.db2.gz XNDVYZLSBLVSLY-KRWDZBQOSA-N 0 1 308.450 4.942 50 0 DJAAMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000095421079 185360583 /nfs/dbraw/zinc/36/05/83/185360583.db2.gz OGYJXZRTULVSHY-BMIGLBTASA-N 0 1 322.836 4.762 50 0 DJAAMN CCSc1ccc([C@H](C)N[C@H](C)c2cnc(C)nc2C)cc1 ZINC000097016785 185397610 /nfs/dbraw/zinc/39/76/10/185397610.db2.gz DMXLWUAZHUNNIX-QWHCGFSZSA-N 0 1 315.486 4.617 50 0 DJAAMN Cc1nc(/C=C\c2nc3cc(C)ccc3s2)c2ccccn12 ZINC000097029958 185399010 /nfs/dbraw/zinc/39/90/10/185399010.db2.gz LXOUTUUCJUVOES-CLFYSBASSA-N 0 1 305.406 4.731 50 0 DJAAMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)c1cccc(F)c1 ZINC000225604927 186282574 /nfs/dbraw/zinc/28/25/74/186282574.db2.gz JGXVHHFLKUBBFG-GFCCVEGCSA-N 0 1 306.812 4.714 50 0 DJAAMN O=C1c2cccc3cccc(c32)C(O)=C1c1ccc2ccccc2n1 ZINC000003832890 181048031 /nfs/dbraw/zinc/04/80/31/181048031.db2.gz FPHUOXSJKQAXMR-UHFFFAOYSA-N 0 1 323.351 4.551 50 0 DJAAMN COc1ccc(-c2cc(N3CCCC3)c3ccccc3n2)cc1 ZINC000004542889 181122527 /nfs/dbraw/zinc/12/25/27/181122527.db2.gz IYRACWCAJQOXTB-UHFFFAOYSA-N 0 1 304.393 4.511 50 0 DJAAMN S=c1[nH]nc(Cc2cccs2)n1-c1cccc2ccccc21 ZINC000004575492 181125931 /nfs/dbraw/zinc/12/59/31/181125931.db2.gz CIAWZFRNTQMRGJ-UHFFFAOYSA-N 0 1 323.446 4.735 50 0 DJAAMN C[C@H](c1nc2ccccc2n1Cc1ccccc1)N1CCCCC1 ZINC000005235835 181219700 /nfs/dbraw/zinc/21/97/00/181219700.db2.gz ZPVXOYCFXQVDEF-QGZVFWFLSA-N 0 1 319.452 4.632 50 0 DJAAMN CC(C)c1ccc(CNc2ncc(-c3ccccc3)n2C)cc1 ZINC000006024137 181307217 /nfs/dbraw/zinc/30/72/17/181307217.db2.gz XAQOOOMEMNPHRP-UHFFFAOYSA-N 0 1 305.425 4.823 50 0 DJAAMN COc1ccc(CC2=NC(C)(C)Cc3cc(C)c(C)cc32)cc1 ZINC000096343668 193614156 /nfs/dbraw/zinc/61/41/56/193614156.db2.gz RALSCMZZHXWJDH-UHFFFAOYSA-N 0 1 307.437 4.679 50 0 DJAAMN CC(C)c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000015833529 182019788 /nfs/dbraw/zinc/01/97/88/182019788.db2.gz BHQHIIRWJIYXKE-UHFFFAOYSA-N 0 1 300.789 4.919 50 0 DJAAMN Cc1ccc([C@@H](C)N(C)Cc2cc(-c3ccccc3)no2)cc1 ZINC000059038229 184133971 /nfs/dbraw/zinc/13/39/71/184133971.db2.gz DNEFECVZRNFVGA-MRXNPFEDSA-N 0 1 306.409 4.843 50 0 DJAAMN Brc1ccc([C@H](c2ccccc2)N2CCCC2)cc1 ZINC000065337597 184324966 /nfs/dbraw/zinc/32/49/66/184324966.db2.gz DFLJXKKHZUELSW-KRWDZBQOSA-N 0 1 316.242 4.634 50 0 DJAAMN C[C@H](c1ccc(-c2ccc(F)cc2Cl)cc1)N1CCOCC1 ZINC000426406144 257251021 /nfs/dbraw/zinc/25/10/21/257251021.db2.gz NEZFSSIJECOPSQ-CYBMUJFWSA-N 0 1 319.807 4.539 50 0 DJAAMN Cc1cc([C@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)c(C)o1 ZINC000096476773 563937386 /nfs/dbraw/zinc/93/73/86/563937386.db2.gz UDNYGCOPTSABCS-STQMWFEESA-N 0 1 303.450 4.568 50 0 DJAAMN Cc1cccc(C(=O)c2cccc(CN3CCCCC3)c2)c1C ZINC000002515011 563305096 /nfs/dbraw/zinc/30/50/96/563305096.db2.gz FHIQJOWGIKARCW-UHFFFAOYSA-N 0 1 307.437 4.520 50 0 DJAAMN Cc1ccc(C)c(C(=O)c2ccccc2CN2CCCCC2)c1 ZINC000002515510 563305810 /nfs/dbraw/zinc/30/58/10/563305810.db2.gz AGDLCTMHGZQBJL-UHFFFAOYSA-N 0 1 307.437 4.520 50 0 DJAAMN Cc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1C ZINC000002515512 563306123 /nfs/dbraw/zinc/30/61/23/563306123.db2.gz RYEVGRQTJLVVBB-UHFFFAOYSA-N 0 1 307.437 4.520 50 0 DJAAMN Oc1c(Cl)cc(Cl)cc1-c1ccnn1-c1ccccc1 ZINC000002574009 563309923 /nfs/dbraw/zinc/30/99/23/563309923.db2.gz YYVVIVSCGKUPSY-UHFFFAOYSA-N 0 1 305.164 4.552 50 0 DJAAMN CN(Cc1ccccc1)Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000034670356 563310767 /nfs/dbraw/zinc/31/07/67/563310767.db2.gz HSPQZRDKUMFPIV-UHFFFAOYSA-N 0 1 324.374 4.659 50 0 DJAAMN CCC(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C(C)(C)C)cc1 ZINC000034795798 563324392 /nfs/dbraw/zinc/32/43/92/563324392.db2.gz IWMBRZCSLBERFH-UHFFFAOYSA-N 0 1 311.429 4.600 50 0 DJAAMN Cc1ccc(CNCc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 ZINC000007541248 563339556 /nfs/dbraw/zinc/33/95/56/563339556.db2.gz QOTGRNZPXQGVDS-MRXNPFEDSA-N 0 1 321.420 4.598 50 0 DJAAMN Cc1ccc(-c2cc(-c3ccc4ccccc4c3O)n[nH]2)cc1 ZINC000009046638 563351184 /nfs/dbraw/zinc/35/11/84/563351184.db2.gz PLBNPEHPWBMZKM-UHFFFAOYSA-N 0 1 300.361 4.911 50 0 DJAAMN CC(C)=CC[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000011911054 563359920 /nfs/dbraw/zinc/35/99/20/563359920.db2.gz LCFLVTVNBZEGJL-GOSISDBHSA-N 0 1 309.457 4.531 50 0 DJAAMN Cc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c(C)c1 ZINC000032721217 563383905 /nfs/dbraw/zinc/38/39/05/563383905.db2.gz XXVJXXUSIIUVFR-UHFFFAOYSA-N 0 1 321.424 4.730 50 0 DJAAMN Fc1ccc([C@@H]2CCCN2Cc2cc(-c3ccccc3)no2)cc1 ZINC000028280955 563430859 /nfs/dbraw/zinc/43/08/59/563430859.db2.gz UUNPNWDUQLEHRB-FQEVSTJZSA-N 0 1 322.383 4.818 50 0 DJAAMN Cc1cccc(C)c1O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000033004189 563461182 /nfs/dbraw/zinc/46/11/82/563461182.db2.gz DMSSDJUXYKGDKG-LBPRGKRZSA-N 0 1 300.789 4.973 50 0 DJAAMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1sc(C(C)C)nc1C ZINC000096477611 563484340 /nfs/dbraw/zinc/48/43/40/563484340.db2.gz XGKQASYLZGUTHH-GXSJLCMTSA-N 0 1 307.463 4.592 50 0 DJAAMN CCN(CC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000000270225 563584067 /nfs/dbraw/zinc/58/40/67/563584067.db2.gz CQNIOTWXQDXZCG-FQEVSTJZSA-N 0 1 324.468 4.832 50 0 DJAAMN C[C@H](N[C@@H](C)c1ccccc1Br)c1ccsc1 ZINC000050340931 563584733 /nfs/dbraw/zinc/58/47/33/563584733.db2.gz CDEUGZHQUFQCFZ-QWRGUYRKSA-N 0 1 310.260 4.922 50 0 DJAAMN CCCCN(CCCC)c1cc(C)nc(-c2ccccc2O)n1 ZINC000100791450 563601899 /nfs/dbraw/zinc/60/18/99/563601899.db2.gz VCYWCPQVFKSMRU-UHFFFAOYSA-N 0 1 313.445 4.564 50 0 DJAAMN Cc1cc([C@H]2CCCN2Cc2oc3ccc(C)cc3c2C)on1 ZINC000216143128 563708481 /nfs/dbraw/zinc/70/84/81/563708481.db2.gz AIFIKUZSPZWRIB-MRXNPFEDSA-N 0 1 310.397 4.683 50 0 DJAAMN C[C@@H](NCc1c[nH]nc1-c1cccs1)c1ccccc1Cl ZINC000012539025 563799229 /nfs/dbraw/zinc/79/92/29/563799229.db2.gz RPBOCCZUSIOZOJ-LLVKDONJSA-N 0 1 317.845 4.642 50 0 DJAAMN Clc1ccc([C@H](NCc2cc[nH]c2)c2cccs2)cc1 ZINC000086251174 563845081 /nfs/dbraw/zinc/84/50/81/563845081.db2.gz IYXRDROEUPLFEY-INIZCTEOSA-N 0 1 302.830 4.609 50 0 DJAAMN CCCCOc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1 ZINC000002119145 563914665 /nfs/dbraw/zinc/91/46/65/563914665.db2.gz BRUBSSKMCMFYCC-OAQYLSRUSA-N 0 1 324.468 4.988 50 0 biogenic DJAAMN C[C@@H]1CCC[C@@H](n2c(=O)c3cc(Cl)ccc3[nH]c2=S)[C@@H]1C ZINC000003912021 563944594 /nfs/dbraw/zinc/94/45/94/563944594.db2.gz UZAJGLDQDXMKTL-GPCCPHFNSA-N 0 1 322.861 4.710 50 0 DJAAMN Oc1c(Cl)cc(Cl)c2ccc(/C=C\c3cccnc3)nc12 ZINC000096766410 185386680 /nfs/dbraw/zinc/38/66/80/185386680.db2.gz KFLKUFYTHXBLBA-ARJAWSKDSA-N 0 1 317.175 4.813 50 0 DJAAMN Cc1cccc([C@H]2CCCN2Cc2nc3cc(F)ccc3o2)c1 ZINC000079092924 185157053 /nfs/dbraw/zinc/15/70/53/185157053.db2.gz VLKLMNJCJCIJLZ-QGZVFWFLSA-N 0 1 310.372 4.612 50 0 DJAAMN CC(C)n1cc([C@@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423504 185361143 /nfs/dbraw/zinc/36/11/43/185361143.db2.gz OJHHHJACNCQITD-XIKOKIGWSA-N 0 1 319.399 4.544 50 0 DJAAMN Fc1ccc2nc(-c3c[nH]nc3-c3cc4ccccc4o3)[nH]c2c1 ZINC000072467839 191174745 /nfs/dbraw/zinc/17/47/45/191174745.db2.gz COVPIRCBHKIPNP-UHFFFAOYSA-N 0 1 318.311 4.505 50 0 DJAAMN Cc1ccc2nc(-c3cn(C)nc3-c3cccc(Cl)c3)[nH]c2c1 ZINC000072469833 191175757 /nfs/dbraw/zinc/17/57/57/191175757.db2.gz WGZJOLACZOTYGS-UHFFFAOYSA-N 0 1 322.799 4.592 50 0 DJAAMN Cc1cc(C)cc(C(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000002515016 180930014 /nfs/dbraw/zinc/93/00/14/180930014.db2.gz SGJYKNVHFDOTLM-UHFFFAOYSA-N 0 1 307.437 4.520 50 0 DJAAMN C[C@H]1CCc2nc(Nc3nc4c(cccc4F)s3)sc2C1 ZINC000004137666 181078022 /nfs/dbraw/zinc/07/80/22/181078022.db2.gz TUFJCCSQIBOOBM-QMMMGPOBSA-N 0 1 319.430 4.760 50 0 DJAAMN Oc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000004473189 181111522 /nfs/dbraw/zinc/11/15/22/181111522.db2.gz 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ZINC000020552956 182231077 /nfs/dbraw/zinc/23/10/77/182231077.db2.gz UQAOHASDZDJBMV-UHFFFAOYSA-N 0 1 316.571 4.605 50 0 DJAAMN Cc1ccc(O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c(C)c1 ZINC000021658909 182283006 /nfs/dbraw/zinc/28/30/06/182283006.db2.gz KEXDLVRYBWAYMV-GFCCVEGCSA-N 0 1 300.789 4.973 50 0 DJAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000021720972 182286637 /nfs/dbraw/zinc/28/66/37/182286637.db2.gz WQFILYHPRQVSNA-HNNXBMFYSA-N 0 1 304.821 4.536 50 0 DJAAMN CN(Cc1ncc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 ZINC000023053732 182346172 /nfs/dbraw/zinc/34/61/72/182346172.db2.gz IMADOXKAJJEDAT-LJQANCHMSA-N 0 1 318.420 4.851 50 0 DJAAMN CC(C)c1ncc(CNC(C)(C)c2ccc(Cl)cc2)s1 ZINC000095965334 563932716 /nfs/dbraw/zinc/93/27/16/563932716.db2.gz DXAJAMLFQTWQQS-UHFFFAOYSA-N 0 1 308.878 4.945 50 0 DJAAMN O=C(c1ccc(Cl)cc1)c1cccc(CN2CCCCC2)c1 ZINC000002515008 563305167 /nfs/dbraw/zinc/30/51/67/563305167.db2.gz ZICWFENNPJCCNZ-UHFFFAOYSA-N 0 1 313.828 4.557 50 0 DJAAMN Cc1ccc(C(=O)c2cccc(CN3CCCCC3)c2)c(C)c1 ZINC000002515012 563305366 /nfs/dbraw/zinc/30/53/66/563305366.db2.gz ZWRTVJCWQVGIBS-UHFFFAOYSA-N 0 1 307.437 4.520 50 0 DJAAMN Cc1cc(Nc2ccc(Cl)cc2)nc(-c2ccccc2O)n1 ZINC000013126810 563378725 /nfs/dbraw/zinc/37/87/25/563378725.db2.gz ASYGBPJXPSZQDK-UHFFFAOYSA-N 0 1 311.772 4.555 50 0 DJAAMN Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](C)C1 ZINC000014948135 563404356 /nfs/dbraw/zinc/40/43/56/563404356.db2.gz PWDPVZYVAJIEIT-LBPRGKRZSA-N 0 1 304.821 4.535 50 0 DJAAMN Cc1sc2c(c1C)CN[C@@H](c1ccc(C)cc1)c1cccn1-2 ZINC000032919296 563444093 /nfs/dbraw/zinc/44/40/93/563444093.db2.gz QWHSTYZJZYJOPP-SFHVURJKSA-N 0 1 308.450 4.657 50 0 DJAAMN O=c1cc(CSc2ccc(Cl)cc2)[nH]n1-c1ccccc1 ZINC000100585036 563551696 /nfs/dbraw/zinc/55/16/96/563551696.db2.gz BILKVODIFZWRRA-UHFFFAOYSA-N 0 1 316.813 4.524 50 0 DJAAMN C[C@H](NCc1c[nH]nc1-c1cccs1)c1ccccc1Cl ZINC000012539028 563799250 /nfs/dbraw/zinc/79/92/50/563799250.db2.gz RPBOCCZUSIOZOJ-NSHDSACASA-N 0 1 317.845 4.642 50 0 DJAAMN C[C@@H](C(=O)c1c[nH]c2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000241121844 563880341 /nfs/dbraw/zinc/88/03/41/563880341.db2.gz JEFSJEFTKOZECG-GUYCJALGSA-N 0 1 324.449 4.638 50 0 DJAAMN CC(=NN=c1cccc[nH]1)c1cc2c(ccc3ccccc23)o1 ZINC000252474391 563885351 /nfs/dbraw/zinc/88/53/51/563885351.db2.gz CMEXSPRGDKKTJO-UHFFFAOYSA-N 0 1 301.349 4.817 50 0 DJAAMN CC(C)[C@H](N[C@H](C)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000170040494 563903009 /nfs/dbraw/zinc/90/30/09/563903009.db2.gz WGEABDDEHXFRGT-ACJLOTCBSA-N 0 1 311.404 4.750 50 0 DJAAMN C[C@H](N[C@@H](C)c1cnccn1)c1ccc(-c2ccccc2)cc1 ZINC000089904926 563912257 /nfs/dbraw/zinc/91/22/57/563912257.db2.gz CNEMOUHWCUKMJL-HOTGVXAUSA-N 0 1 303.409 4.555 50 0 DJAAMN Cc1c2ccccc2oc1[C@@H](N[C@H](C)c1cnccn1)C(C)C ZINC000095967928 563933079 /nfs/dbraw/zinc/93/30/79/563933079.db2.gz HZMADFNCONRIHY-KDOFPFPSSA-N 0 1 309.413 4.579 50 0 DJAAMN Cc1cc([C@@H](C)N[C@H](C)c2cn(C(C)(C)C)nc2C)c(C)o1 ZINC000096476774 563937363 /nfs/dbraw/zinc/93/73/63/563937363.db2.gz 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/nfs/dbraw/zinc/31/08/87/563310887.db2.gz UGDAXQQNQNPLAK-UHFFFAOYSA-N 0 1 324.374 4.659 50 0 DJAAMN Cc1ccc2nc(SCCCOc3cccc(C)c3)[nH]c2c1 ZINC000013063410 563377574 /nfs/dbraw/zinc/37/75/74/563377574.db2.gz UEFCHGVREMRYIW-UHFFFAOYSA-N 0 1 312.438 4.741 50 0 DJAAMN c1ccc(C(SC2=N[C@H]3CCCC[C@H]3N2)c2ccccc2)cc1 ZINC000014196660 563397646 /nfs/dbraw/zinc/39/76/46/563397646.db2.gz DFVGCXDKIAAVDE-HDICACEKSA-N 0 1 322.477 4.780 50 0 DJAAMN Cc1ccccc1[C@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1 ZINC000028190217 563430617 /nfs/dbraw/zinc/43/06/17/563430617.db2.gz GCABNIVCNNWWMI-QGZVFWFLSA-N 0 1 321.449 4.872 50 0 DJAAMN Cc1ccccc1[C@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000028190217 563430621 /nfs/dbraw/zinc/43/06/21/563430621.db2.gz GCABNIVCNNWWMI-QGZVFWFLSA-N 0 1 321.449 4.872 50 0 DJAAMN COc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1 ZINC000000178682 563446748 /nfs/dbraw/zinc/44/67/48/563446748.db2.gz ZBCSNQSIGXWJKU-UHFFFAOYSA-N 0 1 304.802 4.517 50 0 DJAAMN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)on1 ZINC000035453921 563452745 /nfs/dbraw/zinc/45/27/45/563452745.db2.gz RPTCYHBBEPDTPE-SFHVURJKSA-N 0 1 309.413 4.616 50 0 DJAAMN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]c3ccccc23)on1 ZINC000035453923 563452812 /nfs/dbraw/zinc/45/28/12/563452812.db2.gz RPTCYHBBEPDTPE-GOSISDBHSA-N 0 1 309.413 4.616 50 0 DJAAMN Cc1cccc2nc([C@@H](C)Oc3ccc(Cl)c(C)c3)[nH]c21 ZINC000033004191 563461362 /nfs/dbraw/zinc/46/13/62/563461362.db2.gz DXGVFUQZFGCCOR-GFCCVEGCSA-N 0 1 300.789 4.973 50 0 DJAAMN COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC ZINC000033559071 563847394 /nfs/dbraw/zinc/84/73/94/563847394.db2.gz PWBZEIGMLSIRNU-UHFFFAOYSA-N 0 1 323.179 4.554 50 0 DJAAMN Cc1ccc2nc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)[nH]c2c1 ZINC000075421496 563870815 /nfs/dbraw/zinc/87/08/15/563870815.db2.gz CHUVPHVJEJCONH-UHFFFAOYSA-N 0 1 321.424 4.831 50 0 DJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)c3ccc(F)cc3)n2)cc1 ZINC000007191783 563904346 /nfs/dbraw/zinc/90/43/46/563904346.db2.gz MEKBWRWZWCREQN-GFCCVEGCSA-N 0 1 313.401 4.773 50 0 DJAAMN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1cnccn1 ZINC000089904928 563912120 /nfs/dbraw/zinc/91/21/20/563912120.db2.gz CNEMOUHWCUKMJL-JKSUJKDBSA-N 0 1 303.409 4.555 50 0 DJAAMN CCC[C@H](N[C@@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967622 563932855 /nfs/dbraw/zinc/93/28/55/563932855.db2.gz HKKOZOWBWMGYMS-WFASDCNBSA-N 0 1 323.362 4.687 50 0 DJAAMN CCC[C@H](N[C@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967624 563932998 /nfs/dbraw/zinc/93/29/98/563932998.db2.gz HKKOZOWBWMGYMS-DOMZBBRYSA-N 0 1 323.362 4.687 50 0 DJAAMN Cc1c2ccccc2oc1[C@H](N[C@@H](C)c1cnccn1)C(C)C ZINC000095967925 563933298 /nfs/dbraw/zinc/93/32/98/563933298.db2.gz HZMADFNCONRIHY-KBXCAEBGSA-N 0 1 309.413 4.579 50 0 DJAAMN Cc1ccc(OCCCSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000002666048 563940212 /nfs/dbraw/zinc/94/02/12/563940212.db2.gz FBWPSFMGSUEJJC-UHFFFAOYSA-N 0 1 312.438 4.741 50 0 DJAAMN Cc1ccc(OCCCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000002838891 563940894 /nfs/dbraw/zinc/94/08/94/563940894.db2.gz SEMBABNNFURFAZ-UHFFFAOYSA-N 0 1 309.453 4.521 50 0 DJAAMN Cc1nc(CN(Cc2ccccc2)[C@H](C)C2CC2)sc1C ZINC000078970988 185137182 /nfs/dbraw/zinc/13/71/82/185137182.db2.gz ADRNMTBUNODNOL-CQSZACIVSA-N 0 1 300.471 4.561 50 0 DJAAMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000095421077 185360520 /nfs/dbraw/zinc/36/05/20/185360520.db2.gz OGYJXZRTULVSHY-MEBBXXQBSA-N 0 1 322.836 4.762 50 0 DJAAMN CC(C)n1cc([C@H](C)N[C@@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423503 185361025 /nfs/dbraw/zinc/36/10/25/185361025.db2.gz OJHHHJACNCQITD-KPZWWZAWSA-N 0 1 319.399 4.544 50 0 DJAAMN CC(C)C/C=C(\CN1CC(c2ccccn2)C1)c1ccccc1 ZINC000072156253 191059698 /nfs/dbraw/zinc/05/96/98/191059698.db2.gz ZBJUPDIGNRHNLY-XDHOZWIPSA-N 0 1 306.453 4.611 50 0 DJAAMN CCc1ccc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000072276802 191098150 /nfs/dbraw/zinc/09/81/50/191098150.db2.gz QELPSOZXXMIDPH-LJQANCHMSA-N 0 1 307.441 4.612 50 0 DJAAMN C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)c1ccc(F)cc1 ZINC000225604996 186282584 /nfs/dbraw/zinc/28/25/84/186282584.db2.gz REIMMDVFOXASOM-GFCCVEGCSA-N 0 1 306.812 4.714 50 0 DJAAMN Cc1ccc(CNc2ncc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000004678492 181136055 /nfs/dbraw/zinc/13/60/55/181136055.db2.gz HLVPOWDSVFODOD-UHFFFAOYSA-N 0 1 311.816 4.661 50 0 DJAAMN COc1ccc(O)c(-c2cc(-c3ccc(C(C)(C)C)cc3)[nH]n2)c1 ZINC000005061672 181199175 /nfs/dbraw/zinc/19/91/75/181199175.db2.gz KHWATZKJNWPAQQ-UHFFFAOYSA-N 0 1 322.408 4.755 50 0 DJAAMN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1Cl ZINC000005601905 181262196 /nfs/dbraw/zinc/26/21/96/181262196.db2.gz OGTOZAYMCMZNHE-UHFFFAOYSA-N 0 1 323.845 4.573 50 0 DJAAMN CCCc1[nH]c2c(c3nc4ccccc4c1-3)C(=O)CC(C)(C)C2 ZINC000005904209 181295146 /nfs/dbraw/zinc/29/51/46/181295146.db2.gz LKMTXNPWZWZNFS-UHFFFAOYSA-N 0 1 306.409 4.824 50 0 biogenic DJAAMN Cc1ccc2nc(SCC(=O)c3cc(C)c(C)cc3C)[nH]c2c1 ZINC000006493795 181345827 /nfs/dbraw/zinc/34/58/27/181345827.db2.gz NTWMWNSYUHZXEL-UHFFFAOYSA-N 0 1 324.449 4.772 50 0 DJAAMN Cc1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 ZINC000006798161 181390427 /nfs/dbraw/zinc/39/04/27/181390427.db2.gz ZMUPFXRYVCQKSF-UHFFFAOYSA-N 0 1 311.388 4.620 50 0 DJAAMN Cc1cc(Nc2ccccc2Cl)nc(-c2ccccc2O)n1 ZINC000013126809 181831714 /nfs/dbraw/zinc/83/17/14/181831714.db2.gz PRQNGSHLDZXMQE-UHFFFAOYSA-N 0 1 311.772 4.555 50 0 DJAAMN CCOc1ccc2nc(COc3ccc(C(C)C)cc3)[nH]c2c1 ZINC000016903856 182063755 /nfs/dbraw/zinc/06/37/55/182063755.db2.gz APDLGKNDDXIWRW-UHFFFAOYSA-N 0 1 310.397 4.664 50 0 DJAAMN CCN(CC)c1ccc(NCCOc2cc(C)cc(C)c2)cc1 ZINC000019738525 182141386 /nfs/dbraw/zinc/14/13/86/182141386.db2.gz UUNLALZWWDZFFI-UHFFFAOYSA-N 0 1 312.457 4.641 50 0 DJAAMN Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cc(Cl)ccc2[nH+]1 ZINC000019791963 182149809 /nfs/dbraw/zinc/14/98/09/182149809.db2.gz QCLIQMKZJXBNQY-UHFFFAOYSA-N 0 1 312.756 4.638 50 0 DJAAMN Clc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)c(Cl)c1 ZINC000020111991 182188670 /nfs/dbraw/zinc/18/86/70/182188670.db2.gz KVXJJHFLOAFTDX-INIZCTEOSA-N 0 1 317.219 4.710 50 0 biogenic DJAAMN CC[C@H](N[C@H](C)c1ccccn1)c1ccc(Br)cc1 ZINC000020123533 182189059 /nfs/dbraw/zinc/18/90/59/182189059.db2.gz VTSQYDHJNYQZNQ-DOMZBBRYSA-N 0 1 319.246 4.646 50 0 DJAAMN Cc1ccc(O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1C ZINC000021658850 182282728 /nfs/dbraw/zinc/28/27/28/182282728.db2.gz CLUKWBHUHMMCIW-LBPRGKRZSA-N 0 1 300.789 4.973 50 0 DJAAMN CCn1c(CSc2nc3ccc(C)cc3[nH]2)nc2ccccc21 ZINC000000120253 563219866 /nfs/dbraw/zinc/21/98/66/563219866.db2.gz XWICSIACWPJTNG-UHFFFAOYSA-N 0 1 322.437 4.533 50 0 DJAAMN CCOc1ccc2nc(SCc3ccccc3Cl)[nH]c2c1 ZINC000001241882 563279956 /nfs/dbraw/zinc/27/99/56/563279956.db2.gz AUSZVDXXTKNRMC-UHFFFAOYSA-N 0 1 318.829 4.907 50 0 DJAAMN Cc1ccc(-c2cncc(CN(C)Cc3ccccc3)c2)cc1 ZINC000034670325 563311333 /nfs/dbraw/zinc/31/13/33/563311333.db2.gz WKSLTYYDHSRDNV-UHFFFAOYSA-N 0 1 302.421 4.689 50 0 DJAAMN C/C(=C\c1ccccc1)CN1CCN(c2cc(C)ccc2C)CC1 ZINC000004981071 563328526 /nfs/dbraw/zinc/32/85/26/563328526.db2.gz GBIOPYRYTMEVCD-XDJHFCHBSA-N 0 1 320.480 4.529 50 0 DJAAMN CCc1nnc(SCc2sc3ccccc3c2Cl)[nH]1 ZINC000028473659 563432293 /nfs/dbraw/zinc/43/22/93/563432293.db2.gz TYFQWWHDIKZEHM-UHFFFAOYSA-N 0 1 309.847 4.528 50 0 DJAAMN CCc1n[nH]c(SCc2sc3ccccc3c2Cl)n1 ZINC000028473659 563432295 /nfs/dbraw/zinc/43/22/95/563432295.db2.gz TYFQWWHDIKZEHM-UHFFFAOYSA-N 0 1 309.847 4.528 50 0 DJAAMN Fc1ccc([C@@H]2CN(Cc3cccc4ccccc43)CCO2)cc1 ZINC000029538073 563435261 /nfs/dbraw/zinc/43/52/61/563435261.db2.gz QEWZACBKTFJVIR-NRFANRHFSA-N 0 1 321.395 4.552 50 0 DJAAMN CCC(=O)Nc1ccc([C@H](C)NCc2ccccc2Cl)cc1 ZINC000030640394 563437758 /nfs/dbraw/zinc/43/77/58/563437758.db2.gz LDEBDUWGHXNMMZ-ZDUSSCGKSA-N 0 1 316.832 4.539 50 0 DJAAMN Clc1cc(CN2CCC[C@@H]2c2ccc[nH]2)c2ccccc2n1 ZINC000097163119 563507766 /nfs/dbraw/zinc/50/77/66/563507766.db2.gz URDHCTDLMOSPRS-QGZVFWFLSA-N 0 1 311.816 4.553 50 0 DJAAMN Clc1cc(CN2CCC[C@H]2c2ccc[nH]2)c2ccccc2n1 ZINC000097163120 563507855 /nfs/dbraw/zinc/50/78/55/563507855.db2.gz URDHCTDLMOSPRS-KRWDZBQOSA-N 0 1 311.816 4.553 50 0 DJAAMN CCC[C@@H]1CCCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000060904485 563567754 /nfs/dbraw/zinc/56/77/54/563567754.db2.gz SXSWLKUQIYJNSH-ZIAGYGMSSA-N 0 1 319.474 4.761 50 0 DJAAMN CCOc1cc2cnc(NC3CCCCC3)cc2cc1OCC ZINC000000537181 563667145 /nfs/dbraw/zinc/66/71/45/563667145.db2.gz FQXIHHYPQNBVMP-UHFFFAOYSA-N 0 1 314.429 4.777 50 0 DJAAMN Clc1ccccc1Oc1ncccc1CN1CCCCC1 ZINC000221271931 563723160 /nfs/dbraw/zinc/72/31/60/563723160.db2.gz QEBRHKBVPJYDCG-UHFFFAOYSA-N 0 1 302.805 4.513 50 0 DJAAMN c1csc(-c2ncc(CN3CCC[C@@H]3c3cccs3)[nH]2)c1 ZINC000075109066 563860165 /nfs/dbraw/zinc/86/01/65/563860165.db2.gz YFOURHGMSNIJFZ-CYBMUJFWSA-N 0 1 315.467 4.537 50 0 DJAAMN Cc1cc([C@@H](NCc2nc(C)c(C)s2)C(C)C)c(C)s1 ZINC000091731444 563879124 /nfs/dbraw/zinc/87/91/24/563879124.db2.gz FAKVPWRRRKVPST-INIZCTEOSA-N 0 1 308.516 4.925 50 0 DJAAMN CCN1[C@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000240936865 563880349 /nfs/dbraw/zinc/88/03/49/563880349.db2.gz SFCJAXKHIYXCGG-JSJNYSNDSA-N 0 1 307.437 4.646 50 0 DJAAMN CCN1[C@H](c2ccccc2)[C@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000240936864 563880358 /nfs/dbraw/zinc/88/03/58/563880358.db2.gz SFCJAXKHIYXCGG-FVCZOJIISA-N 0 1 307.437 4.646 50 0 DJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)c3ccc(F)cc3)n2)cc1 ZINC000007191782 563904349 /nfs/dbraw/zinc/90/43/49/563904349.db2.gz MEKBWRWZWCREQN-LBPRGKRZSA-N 0 1 313.401 4.773 50 0 DJAAMN Clc1c2ccccc2sc1CSc1nc(C2CC2)n[nH]1 ZINC000037141687 563906324 /nfs/dbraw/zinc/90/63/24/563906324.db2.gz BUNONRMDTKCKNI-UHFFFAOYSA-N 0 1 321.858 4.843 50 0 DJAAMN Clc1c2ccccc2sc1CSc1n[nH]c(C2CC2)n1 ZINC000037141687 563906327 /nfs/dbraw/zinc/90/63/27/563906327.db2.gz BUNONRMDTKCKNI-UHFFFAOYSA-N 0 1 321.858 4.843 50 0 DJAAMN Cc1cccc(C2(NCc3ccncc3Cl)CCCC2)c1 ZINC000095963075 563932532 /nfs/dbraw/zinc/93/25/32/563932532.db2.gz DMSVPFBKVQHFLI-UHFFFAOYSA-N 0 1 300.833 4.603 50 0 DJAAMN Cc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000008268511 563947326 /nfs/dbraw/zinc/94/73/26/563947326.db2.gz XNDVYZLSBLVSLY-QGZVFWFLSA-N 0 1 308.450 4.942 50 0 DJAAMN